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Home > Nitro Compounds > 13138-53-9
13138-53-9 | 1,2-Benzenedicarboxamide, 4-nitro-
CAS No: 13138-53-9 Catalog No: AG000W2Q MDL No:MFCD00052702
Product Description
Catalog Number:
AG000W2Q
Chemical Name:
1,2-Benzenedicarboxamide, 4-nitro-
CAS Number:
13138-53-9
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
MDL Number:
MFCD00052702
IUPAC Name:
4-nitrobenzene-1,2-dicarboxamide
InChI:
InChI=1S/C8H7N3O4/c9-7(12)5-2-1-4(11(14)15)3-6(5)8(10)13/h1-3H,(H2,9,12)(H2,10,13)
InChI Key:
XWCDSCYRIROFIO-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(ccc1C(=O)N)[N+](=O)[O-]
EC Number:
236-070-6
NSC Number:
94821
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Changes in flavor compounds of dry-cured Chinese Jinhua ham during processing. | Meat science 20051001 |
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