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Home > Nitro Compounds > 4551-76-2
4551-76-2 | 4-methyl-3,5-dinitrobenzamide
CAS No: 4551-76-2 Catalog No: AG00JGOF MDL No:MFCD00452608
Product Description
Catalog Number:
AG00JGOF
Chemical Name:
4-methyl-3,5-dinitrobenzamide
CAS Number:
4551-76-2
Molecular Formula:
C8H7N3O5
Molecular Weight:
225.1583
MDL Number:
MFCD00452608
IUPAC Name:
4-methyl-3,5-dinitrobenzamide
InChI:
InChI=1S/C8H7N3O5/c1-4-6(10(13)14)2-5(8(9)12)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
InChI Key:
TXZXZIKHDOCRFD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)N
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.16g/mol
Monoisotopic Mass:
225.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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