3,4-Dinitrobenzamide - CAS 98604-39-8
Catalog: |
BB066818 |
Product Name: |
3,4-Dinitrobenzamide |
CAS: |
98604-39-8 |
Synonyms: |
3,4-dinitrobenzamide; Benzamide, 3,4-dinitro- |
IUPAC Name: | 3,4-dinitrobenzamide |
Description: | 3,4-Dinitrobenzamide is an aromatic nitro compound with antibacterial activity. |
Molecular Weight: | 211.13 |
Molecular Formula: | C7H5N3O5 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])[N+](=O)[O-] |
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 |
References: | Oikawa, S., et. al. Chem. Pharm. Bull., 33, 2821 (1985). |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.02292027 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.02292027 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 135Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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