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Home > Nitro Compounds > 74928-55-5
74928-55-5 | Phenylalanine, N-(3,5-dinitrobenzoyl)-
CAS No: 74928-55-5 Catalog No: AG005S60 MDL No:
Product Description
Catalog Number:
AG005S60
Chemical Name:
Phenylalanine, N-(3,5-dinitrobenzoyl)-
CAS Number:
74928-55-5
Molecular Formula:
C16H13N3O7
Molecular Weight:
359.2903
IUPAC Name:
(2S)-2-[(3,5-dinitrobenzoyl)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C16H13N3O7/c20-15(11-7-12(18(23)24)9-13(8-11)19(25)26)17-14(16(21)22)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2,(H,17,20)(H,21,22)/t14-/m0/s1
InChI Key:
HMPNOOCHYKCCQH-AWEZNQCLSA-N
SMILES:
OC(=O)[C@@H](NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
359.075g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.294g/mol
Monoisotopic Mass:
359.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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