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Home > Nitro Compounds > 51226-42-7
51226-42-7 | 2,4,6-Trinitrophenylbenzamide
CAS No: 51226-42-7 Catalog No: AG00J9H9 MDL No:MFCD00434726
Product Description
Catalog Number:
AG00J9H9
Chemical Name:
2,4,6-Trinitrophenylbenzamide
CAS Number:
51226-42-7
Molecular Formula:
C7H4N4O7
Molecular Weight:
256.1293
MDL Number:
MFCD00434726
IUPAC Name:
2,4,6-trinitrobenzamide
InChI:
InChI=1S/C7H4N4O7/c8-7(12)6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2H,(H2,8,12)
InChI Key:
ODEUNEYDKZLGSY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C(=O)N)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.13g/mol
Monoisotopic Mass:
256.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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