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132005-35-7 | 2-Propanol, 1-chloro-3-(1-naphthalenyloxy)-, (2S)-
CAS No: 132005-35-7 Catalog No: AG00102V MDL No:
Product Description
Catalog Number:
AG00102V
Chemical Name:
2-Propanol, 1-chloro-3-(1-naphthalenyloxy)-, (2S)-
CAS Number:
132005-35-7
Molecular Formula:
C13H13ClO2
Molecular Weight:
236.6941
IUPAC Name:
1-chloro-3-naphthalen-1-yloxypropan-2-ol
InChI:
InChI=1S/C13H13ClO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9H2
InChI Key:
ZVVJOJMCXYDDEW-UHFFFAOYSA-N
SMILES:
ClC[C@H](COc1cccc2c1cccc2)O
EC Number:
243-538-3
NSC Number:
91519
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.695g/mol
Monoisotopic Mass:
236.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Ultrasound irradiation promoted enzymatic transesterification of (R/S)-1-chloro-3-(1-naphthyloxy)-2-propanol. | Molecules (Basel, Switzerland) 20120910 |
| Kinetic resolution of 1-chloro-3-(1-naphthyloxy)-2-propanol, an intermediate in the synthesis of beta-adrenergic receptor blockers. | Bioorganic chemistry 20030601 |
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