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82430-43-1 | 2-Propanol, 1-chloro-3-phenoxy-, (S)-
CAS No: 82430-43-1 Catalog No: AG005BPN MDL No:
Product Description
Catalog Number:
AG005BPN
Chemical Name:
2-Propanol, 1-chloro-3-phenoxy-, (S)-
CAS Number:
82430-43-1
Molecular Formula:
C9H11ClO2
Molecular Weight:
186.6354
IUPAC Name:
(2S)-1-chloro-3-phenoxypropan-2-ol
InChI:
InChI=1S/C9H11ClO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2/t8-/m1/s1
InChI Key:
HCTDRZMGZRHFJV-MRVPVSSYSA-N
SMILES:
ClC[C@H](COc1ccccc1)O
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.635g/mol
Monoisotopic Mass:
186.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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