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176972-62-6 | Carbamic acid, [(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, methyl ester (9CI)
CAS No: 176972-62-6 Catalog No: AG00250S MDL No:
Product Description
Catalog Number:
AG00250S
Chemical Name:
Carbamic acid, [(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, methyl ester (9CI)
CAS Number:
176972-62-6
Molecular Formula:
C12H16ClNO3
Molecular Weight:
257.7133
IUPAC Name:
methyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C12H16ClNO3/c1-17-12(16)14-10(11(15)8-13)7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3,(H,14,16)/t10-,11+/m0/s1
InChI Key:
ZAZXPIZQYVPWAW-WDEREUQCSA-N
SMILES:
ClC[C@H]([C@H](Cc1ccccc1)NC(=O)OC)O
EC Number:
619-880-8
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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