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936-59-4 | 3-Chloro-1-phenylpropan-1-one
CAS No: 936-59-4 Catalog No: AG003JBE MDL No:MFCD00000990
Product Description
Catalog Number:
AG003JBE
Chemical Name:
3-Chloro-1-phenylpropan-1-one
CAS Number:
936-59-4
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD00000990
IUPAC Name:
3-chloro-1-phenylpropan-1-one
InChI:
InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1ccccc1
EC Number:
213-317-6
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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 |
| [Preparation of chiral alcohol by stereoselective reduction of acetophenone and chloroacetophenone with yeast cells]. | Wei sheng wu xue bao = Acta microbiologica Sinica 20030801 |
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