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Home > Nitro Compounds > 548478-81-5
548478-81-5 | 2-nitro-N-{4-[(2-nitrophenyl)formamido]butyl}benzamide
CAS No: 548478-81-5 Catalog No: AG00IXC8 MDL No:MFCD01567379
Product Description
Catalog Number:
AG00IXC8
Chemical Name:
2-nitro-N-{4-[(2-nitrophenyl)formamido]butyl}benzamide
CAS Number:
548478-81-5
Molecular Formula:
C18H18N4O6
Molecular Weight:
386.3587
MDL Number:
MFCD01567379
IUPAC Name:
2-nitro-N-[4-[(2-nitrobenzoyl)amino]butyl]benzamide
InChI:
InChI=1S/C18H18N4O6/c23-17(13-7-1-3-9-15(13)21(25)26)19-11-5-6-12-20-18(24)14-8-2-4-10-16(14)22(27)28/h1-4,7-10H,5-6,11-12H2,(H,19,23)(H,20,24)
InChI Key:
KPHOLTBBXPULDI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])NCCCCNC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.123g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
386.364g/mol
Monoisotopic Mass:
386.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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