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Home > Nitro Compounds > 89844-36-0
89844-36-0 | Benzamide, N-(2,6-dinitrophenyl)-4-nitro-
CAS No: 89844-36-0 Catalog No: AG003XGX MDL No:
Product Description
Catalog Number:
AG003XGX
Chemical Name:
Benzamide, N-(2,6-dinitrophenyl)-4-nitro-
CAS Number:
89844-36-0
Molecular Formula:
C13H8N4O7
Molecular Weight:
332.2252
IUPAC Name:
N-(2,6-dinitrophenyl)-4-nitrobenzamide
InChI:
InChI=1S/C13H8N4O7/c18-13(8-4-6-9(7-5-8)15(19)20)14-12-10(16(21)22)2-1-3-11(12)17(23)24/h1-7H,(H,14,18)
InChI Key:
KNYRNCLWUUOMTQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.039g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.228g/mol
Monoisotopic Mass:
332.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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