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Home > Nitro Compounds > 1655-66-9
1655-66-9 | L-Histidine, N,N-bis(2,4-dinitrophenyl)-
CAS No: 1655-66-9 Catalog No: AG001W6C MDL No:
Product Description
Catalog Number:
AG001W6C
Chemical Name:
L-Histidine, N,N-bis(2,4-dinitrophenyl)-
CAS Number:
1655-66-9
Molecular Formula:
C18H13N7O10
Molecular Weight:
487.3367
IUPAC Name:
(2S)-2-(N-(2,4-dinitrophenyl)-2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C18H13N7O10/c26-18(27)17(5-10-8-19-9-20-10)21(13-3-1-11(22(28)29)6-15(13)24(32)33)14-4-2-12(23(30)31)7-16(14)25(34)35/h1-4,6-9,17H,5H2,(H,19,20)(H,26,27)/t17-/m0/s1
InChI Key:
DYPVFKXVTXSSTH-KRWDZBQOSA-N
SMILES:
OC(=O)[C@@H](N(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Cc1c[nH]cn1
EC Number:
216-747-2
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
487.072g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
487.341g/mol
Monoisotopic Mass:
487.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
253A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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