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128018-43-9 | Carbamic acid, N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, phenylmethyl ester
CAS No: 128018-43-9 Catalog No: AG000XOR MDL No:
Product Description
Catalog Number:
AG000XOR
Chemical Name:
Carbamic acid, N-[(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, phenylmethyl ester
CAS Number:
128018-43-9
Molecular Formula:
C18H20ClNO3
Molecular Weight:
333.8093
IUPAC Name:
benzyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C18H20ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16-17,21H,11-13H2,(H,20,22)/t16-,17+/m0/s1
InChI Key:
YNJAOKKAXVGEIH-DLBZAZTESA-N
SMILES:
ClC[C@H]([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
333.113g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.812g/mol
Monoisotopic Mass:
333.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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