2,5-dichloro-N-(2H-tetrazol-5-yl)benzamide
Basic information
- CAS
560080-25-3- Standard SMILES
O=C(Nc1nn[nH]n1)c1cc(Cl)ccc1Cl- InChIKey
XZCOIRRGZFFROY-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2N5O
- Average molar mass
- 258.06 g/mol
- Monoisotopic mass
- 256.9871152
Names & identifiers
- Preferred name
- 2,5-dichloro-N-(2H-tetrazol-5-yl)benzamide
- IUPAC
- 2,5-dichloro-N-(2H-tetrazol-5-yl)benzamide
- English name
- Benzamide, 2,5-dichloro-N-1H-tetrazol-5-yl- (9CI)
- Molecular formula
- C8H5Cl2N5O
- Molecular weight
- 258.06
Names & synonyms
560080-25-32,5-dichloro-N-(2H-tetrazol-5-yl)benzamideBENZAMIDE, 2,5-DICHLORO-N-1H-TETRAZOL-5-YL-DTXSID00399981AKOS003881387DB-273605Benzamide, 2,5-dichloro-N-2H-tetrazol-5-yl-2,5-dichloro-N-(2~{H}-tetrazol-5-yl)benzamideBenzamide, 2,5-dichloro-N-1H-tetrazol-5-yl- (9CI)
Database identifiers
- CAS
560080-25-3- PubChem CID
- 4153084
- DTXSID
DTXSID00399981
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Density
- 1.718 · 1.718±0.06 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.10(Predicted)
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Compound notes
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