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Home > Nitro Compounds > 1655-54-5
1655-54-5 | L-Phenylalanine, N-(2,4-dinitrophenyl)-
CAS No: 1655-54-5 Catalog No: AG001W6F MDL No:MFCD00038099
Product Description
Catalog Number:
AG001W6F
Chemical Name:
L-Phenylalanine, N-(2,4-dinitrophenyl)-
CAS Number:
1655-54-5
Molecular Formula:
C15H13N3O6
Molecular Weight:
331.2802
MDL Number:
MFCD00038099
IUPAC Name:
(2S)-2-(2,4-dinitroanilino)-3-phenylpropanoic acid
InChI:
InChI=1S/C15H13N3O6/c19-15(20)13(8-10-4-2-1-3-5-10)16-12-7-6-11(17(21)22)9-14(12)18(23)24/h1-7,9,13,16H,8H2,(H,19,20)/t13-/m0/s1
InChI Key:
HJQHTLAEPSKXQJ-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Cc1ccccc1
EC Number:
216-742-5
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
331.08g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.284g/mol
Monoisotopic Mass:
331.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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