Basic information
- CAS
449758-24-1- Standard SMILES
NC(=O)c1ccccc1-n1cnnn1- InChIKey
PFZBNUJWWHCHJX-UHFFFAOYSA-N- Molecular formula
- C8H7N5O
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.06505984
Names & identifiers
- Preferred name
- 2-(1H-Tetrazol-1-YL)benzamide
- IUPAC
- 2-(tetrazol-1-yl)benzamide
- English name
- 2-(1H-TETRAZOL-1-YL)BENZAMIDE
- Molecular formula
- C8H7N5O
- Molecular weight
- 189.17
Names & synonyms
449758-24-12-(1H-TETRAZOL-1-YL)BENZAMIDE2-(1-Tetrazolyl)benzamide2-(tetrazol-1-yl)benzamide2-Tetrazol-1-yl-benzamideMFCD02585734BENZAMIDE,2-(1H-TETRAZOL-1-YL)-2-(1H-1,2,3,4-TETRAZOL-1-YL)BENZAMIDESCHEMBL3328193SCHEMBL30444401DTXSID10357638PFZBNUJWWHCHJX-UHFFFAOYSA-N
Show more names
Benzamide, 2-(1H-tetrazol-1-yl)-
2-(1H-tetrazol-1-yl)-benzamideAC6159AKOS006241463AB11893DA-05762SY040072
Database identifiers
- CAS
449758-24-1- PubChem CID
- 855956
- DTXSID
DTXSID10357638
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 427.2 · 427.2±47.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 15.29 · 15.29±0.50(Predicted)
Chemistry & industry
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Related reactions
8 records
Compound notes
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