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873-63-2 | 3-Chlorobenzyl alcohol
CAS No: 873-63-2 Catalog No: AG003JAI MDL No:MFCD00004632
Product Description
Catalog Number:
AG003JAI
Chemical Name:
3-Chlorobenzyl alcohol
CAS Number:
873-63-2
Molecular Formula:
C7H7ClO
Molecular Weight:
142.5829
MDL Number:
MFCD00004632
IUPAC Name:
(3-chlorophenyl)methanol
InChI:
InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChI Key:
ZSRDNPVYGSFUMD-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)Cl
EC Number:
212-847-5
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.019g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.582g/mol
Monoisotopic Mass:
142.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and inhibition study of monoamine oxidase, indoleamine 2,3-dioxygenase and tryptophan 2,3-dioxygenase by 3,8-substituted 5H-indeno[1,2-c]pyridazin-5-one derivatives. | European journal of medicinal chemistry 20111201 |
| Characterization of four Rhodococcus alcohol dehydrogenase genes responsible for the oxidation of aromatic alcohols. | Applied microbiology and biotechnology 20060801 |
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