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102123-74-0 | Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 102123-74-0 Catalog No: AG0006OA MDL No:MFCD11041198
Product Description
Catalog Number:
AG0006OA
Chemical Name:
Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
102123-74-0
Molecular Formula:
C15H20ClNO3
Molecular Weight:
297.7772
MDL Number:
MFCD11041198
IUPAC Name:
tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChI Key:
JAKDNFBATYIEIE-LBPRGKRZSA-N
SMILES:
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.779g/mol
Monoisotopic Mass:
297.113g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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