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89-72-5 | 2-Sec-Butylphenol
CAS No: 89-72-5 Catalog No: AG0042CL MDL No:MFCD00002225
Product Description
Catalog Number:
AG0042CL
Chemical Name:
2-Sec-Butylphenol
CAS Number:
89-72-5
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD00002225
IUPAC Name:
2-butan-2-ylphenol
InChI:
InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
InChI Key:
NGFPWHGISWUQOI-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1O)C
EC Number:
201-933-8
RTECS Number:
SJ8920000
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein. | Toxicological sciences : an official journal of the Society of Toxicology 20150201 |
| Rat α-Fetoprotein binding affinities of a large set of structurally diverse chemicals elucidated the relationships between structures and binding affinities. | Chemical research in toxicology 20121119 |
| Electrochemical behavior of o-sec-butylphenol at glassy carbon electrode modified with multiwalled carbon nanotubes and 1-butyl-3-methylimidazolium hexafluorophosphate. | The Analyst 20120921 |
| Chemical category approach of genotoxicity studies for branched alkylphenols. | Kokuritsu Iyakuhin Shokuhin Eisei Kenkyujo hokoku = Bulletin of National Institute of Health Sciences 20110101 |
| Isolation and characterization of a novel 2-sec-butylphenol-degrading bacterium Pseudomonas sp. strain MS-1. | Biodegradation 20100401 |
| Determination of four kinds of carbamate pesticides by capillary zone electrophoresis with amperometric detection at a polyamide-modified carbon paste electrode. | Talanta 20070227 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Models for the molybdenum hydroxylases: synthesis, characterization and reactivity of cis-oxosulfido-Mo(VI) complexes. | Journal of the American Chemical Society 20060111 |
| Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. | Journal of medicinal chemistry 20050908 |
| Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor. | Chemical research in toxicology 20031001 |
| Quantitative structure-activity relationships for estrogen receptor binding affinity of phenolic chemicals. | Water research 20030301 |
| Changing the substrate reactivity of 2-hydroxybiphenyl 3-monooxygenase from Pseudomonas azelaica HBP1 by directed evolution. | The Journal of biological chemistry 20020215 |
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