2-(2H-Tetrazol-5-ylcarbonyl)benzoic acid
Basic information
- CAS
56056-38-3- Standard SMILES
O=C(O)c1ccccc1C(=O)c1nn[nH]n1- InChIKey
YXMCRBLAIODIIX-UHFFFAOYSA-N- Molecular formula
- C9H6N4O3
- Average molar mass
- 218.17 g/mol
- Monoisotopic mass
- 218.04399007
Names & identifiers
- Preferred name
- 2-(2H-Tetrazol-5-ylcarbonyl)benzoic acid
- IUPAC
- 2-(2H-tetrazole-5-carbonyl)benzoic acid
Names & synonyms
2-(2H-Tetrazol-5-ylcarbonyl)benzoic acidDTXSID8012734982-(1H-Tetrazole-5-carbonyl)benzoic acid56056-38-3
Database identifiers
- CAS
56056-38-3- PubChem CID
- 12198130
- DTXSID
DTXSID801273498
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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