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19922-83-9 | Benzenemethanol, α-(bromomethyl)-4-methoxy-
CAS No: 19922-83-9 Catalog No: AG002C0H MDL No:
Product Description
Catalog Number:
AG002C0H
Chemical Name:
Benzenemethanol, α-(bromomethyl)-4-methoxy-
CAS Number:
19922-83-9
Molecular Formula:
C9H11BrO2
Molecular Weight:
231.0864
IUPAC Name:
2-bromo-1-(4-methoxyphenyl)ethanol
InChI:
InChI=1S/C9H11BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3
InChI Key:
JJLBVKRIOOBGPP-UHFFFAOYSA-N
SMILES:
BrCC(c1ccc(cc1)OC)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.089g/mol
Monoisotopic Mass:
229.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Chiral Pharmaceutical Intermediaries Obtained by Reduction of 2-Halo-1-(4-substituted phenyl)-ethanones Mediated by Geotrichum candidum CCT 1205 and Rhodotorula glutinis CCT 2182. | Enzyme research 20110101 |
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