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1878-66-6 | Benzeneacetic acid, 4-chloro-
CAS No: 1878-66-6 Catalog No: AG002GHZ MDL No:MFCD00004344
Product Description
Catalog Number:
AG002GHZ
Chemical Name:
Benzeneacetic acid, 4-chloro-
CAS Number:
1878-66-6
Molecular Formula:
C8H7ClO2
Molecular Weight:
170.5930
MDL Number:
MFCD00004344
IUPAC Name:
2-(4-chlorophenyl)acetic acid
InChI:
InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
CDPKJZJVTHSESZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)Cl
EC Number:
217-521-6
NSC Number:
14285
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.592g/mol
Monoisotopic Mass:
170.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Bioremediation of pharmaceuticals, pesticides, and petrochemicals with gomeya/cow dung. | ISRN pharmacology 20110101 |
| 2-(4-Chloro-phen-yl)acetic acid-2-{(E)-[(E)-2-(2-pyridyl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (1/1). | Acta crystallographica. Section E, Structure reports online 20100901 |
| Efficient chemoenzymatic dynamic kinetic resolution of 1-heteroaryl ethanols. | The Journal of organic chemistry 20091218 |
| Carcinogenic effects in a phenylketonuria mouse model. | PloS one 20090101 |
| Inhibition of estrogen-induced mammary tumor formation in MMTV-aromatase transgenic mice by 4-chlorophenylacetate. | Cancer letters 20070628 |
| The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases. | BMC bioinformatics 20040101 |
| In vitro and in vivo effects of easily administered, low-toxic retinoid and phenylacetate compounds on human neuroblastoma cells. | British journal of cancer 20030721 |
| Inhibition of estrogen-dependent breast cell responses with phenylacetate. | International journal of cancer 20010901 |
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