Home Halogens Carbamic acid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester

Carbamic acid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester

CAS No.:
162536-40-5
Catalog Number:
AG001T7U
Molecular Formula:
C15H22ClNO3
Molecular Weight:
299.7931
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Product Description
Catalog Number:
AG001T7U
Chemical Name:
Carbamic acid, N-[(1S,2R)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
162536-40-5
Molecular Formula:
C15H22ClNO3
Molecular Weight:
299.7931
MDL Number:
MFCD01317802
IUPAC Name:
tert-butyl N-[(2S,3R)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C15H22ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChI Key:
GFGQSTIUFXHAJS-STQMWFEESA-N
SMILES:
ClC[C@@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O
EC Number:
923-366-1
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
299.129g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.795g/mol
Monoisotopic Mass:
299.129g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties