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Home > Nitro Compounds > 603-12-3
603-12-3 | 2,6-Dinitrobenzoic Acid
CAS No: 603-12-3 Catalog No: AG003G5Z MDL No:MFCD00024255
Product Description
Catalog Number:
AG003G5Z
Chemical Name:
2,6-Dinitrobenzoic Acid
CAS Number:
603-12-3
Molecular Formula:
C7H4N2O6
Molecular Weight:
212.1165
MDL Number:
MFCD00024255
IUPAC Name:
2,6-dinitrobenzoic acid
InChI:
InChI=1S/C7H4N2O6/c10-7(11)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,10,11)
InChI Key:
HKKWSIQQYJTJLW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.117g/mol
Monoisotopic Mass:
212.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Urinary metabolites of workers exposed to nitrotoluenes. | Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20050101 |
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