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Home > Nitro Compounds > 86399-84-0
86399-84-0 | Benzamide, 4-nitro-N-[2-[(4-nitrobenzoyl)oxy]phenyl]-
CAS No: 86399-84-0 Catalog No: AG004XCV MDL No:
Product Description
Catalog Number:
AG004XCV
Chemical Name:
Benzamide, 4-nitro-N-[2-[(4-nitrobenzoyl)oxy]phenyl]-
CAS Number:
86399-84-0
Molecular Formula:
C20H13N3O7
Molecular Weight:
407.3331
IUPAC Name:
[2-[(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate
InChI:
InChI=1S/C20H13N3O7/c24-19(13-5-9-15(10-6-13)22(26)27)21-17-3-1-2-4-18(17)30-20(25)14-7-11-16(12-8-14)23(28)29/h1-12H,(H,21,24)
InChI Key:
IXFGHICCVSWYNJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.075g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.338g/mol
Monoisotopic Mass:
407.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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