3-Amino-4-nitrobenzamide - CAS 131508-15-1
Catalog: |
BB074649 |
Product Name: |
3-Amino-4-nitrobenzamide |
CAS: |
131508-15-1 |
Synonyms: |
3-amino-4-nitrobenzamide |
IUPAC Name: | 3-amino-4-nitrobenzamide |
Molecular Weight: | 181.15 |
Molecular Formula: | C7H7N3O3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)N)N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7N3O3/c8-5-3-4(7(9)11)1-2-6(5)10(12)13/h1-3H,8H2,(H2,9,11) |
InChI Key: | VIPAFEMXGAOTSV-UHFFFAOYSA-N |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.04874109 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 115Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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