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18776-12-0 | Benzenemethanol, α-(2-chloroethyl)-
CAS No: 18776-12-0 Catalog No: AG000OJR MDL No:MFCD09878800
Product Description
Catalog Number:
AG000OJR
Chemical Name:
Benzenemethanol, α-(2-chloroethyl)-
CAS Number:
18776-12-0
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
MDL Number:
MFCD09878800
IUPAC Name:
3-chloro-1-phenylpropan-1-ol
InChI:
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChI Key:
JZFUHAGLMZWKTF-UHFFFAOYSA-N
SMILES:
ClCCC(c1ccccc1)O
EC Number:
606-122-6
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.636g/mol
Monoisotopic Mass:
170.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Asymmetric synthesis of (S)-3-chloro-1-phenyl-1-propanol using Saccharomyces cerevisiae reductase with high enantioselectivity. | Applied microbiology and biotechnology 20100601 |
| Asymmetric reduction of (S)-3-chloro-1-phenylpropanol from 3-chloropropiophenone by preheated immobilized Candida utilis. | Biotechnology letters 20091201 |
| Adsorption of the enantiomers of 3-chloro-1-phenyl-propanol on silica-bonded chiral quinidine carbamate. | Journal of chromatography. A 20060106 |
| Chromatographic separation of phenylpropanol enantiomers on a quinidine carbamate-type chiral stationary phase. | Journal of chromatography. A 20051014 |
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