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127888-10-2 | L-Phenylalanine, 4-chloro-N-[(phenylmethoxy)carbonyl]-
CAS No: 127888-10-2 Catalog No: AG000XIA MDL No:MFCD00672541
Product Description
Catalog Number:
AG000XIA
Chemical Name:
L-Phenylalanine, 4-chloro-N-[(phenylmethoxy)carbonyl]-
CAS Number:
127888-10-2
Molecular Formula:
C17H16ClNO4
Molecular Weight:
333.7662
MDL Number:
MFCD00672541
IUPAC Name:
(2S)-3-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C17H16ClNO4/c18-14-8-6-12(7-9-14)10-15(16(20)21)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,19,22)(H,20,21)/t15-/m0/s1
InChI Key:
LEWUPPXPENCAKM-HNNXBMFYSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)Cl)OCc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
333.077g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.768g/mol
Monoisotopic Mass:
333.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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