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Home > Nitro Compounds > 98604-39-8
98604-39-8 | 3,4-dinitrobenzamide
CAS No: 98604-39-8 Catalog No: AG00IUT3 MDL No:MFCD26383470
Product Description
Catalog Number:
AG00IUT3
Chemical Name:
3,4-dinitrobenzamide
CAS Number:
98604-39-8
Molecular Formula:
C7H5N3O5
Molecular Weight:
211.1317
MDL Number:
MFCD26383470
IUPAC Name:
3,4-dinitrobenzamide
InChI:
InChI=1S/C7H5N3O5/c8-7(11)4-1-2-5(9(12)13)6(3-4)10(14)15/h1-3H,(H2,8,11)
InChI Key:
CZJXPRIRONCXCN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)N
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.133g/mol
Monoisotopic Mass:
211.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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