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129716-11-6 | Benzenemethanol, 4-chloro-2-methyl-
CAS No: 129716-11-6 Catalog No: AG000TLD MDL No:MFCD06201140
Product Description
Catalog Number:
AG000TLD
Chemical Name:
Benzenemethanol, 4-chloro-2-methyl-
CAS Number:
129716-11-6
Molecular Formula:
C8H9ClO
Molecular Weight:
156.6095
MDL Number:
MFCD06201140
IUPAC Name:
(4-chloro-2-methylphenyl)methanol
InChI:
InChI=1S/C8H9ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
InChI Key:
AHXBDGJNZJKLNE-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1C)Cl
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.609g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Identification of sulfation sites of metabolites and prediction of the compounds' biological effects. | Analytical and bioanalytical chemistry 20061001 |
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