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Home > Nitro Compounds > 117402-88-7
117402-88-7 | D-Phenylalanine, 4-nitro-N-[(phenylmethoxy)carbonyl]-
CAS No: 117402-88-7 Catalog No: AG000E8P MDL No:
Product Description
Catalog Number:
AG000E8P
Chemical Name:
D-Phenylalanine, 4-nitro-N-[(phenylmethoxy)carbonyl]-
CAS Number:
117402-88-7
Molecular Formula:
C17H16N2O6
Molecular Weight:
344.3187
IUPAC Name:
(2R)-3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C17H16N2O6/c20-16(21)15(10-12-6-8-14(9-7-12)19(23)24)18-17(22)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,18,22)(H,20,21)/t15-/m1/s1
InChI Key:
UORCURAKJUSAHL-OAHLLOKOSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
344.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.323g/mol
Monoisotopic Mass:
344.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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