Basic information
- CAS
484039-66-9- Standard SMILES
O=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1- InChIKey
HIKRKFWWIFACIF-UHFFFAOYSA-N- Molecular formula
- C14H10BrN5O
- Average molar mass
- 344.17 g/mol
- Monoisotopic mass
- 343.00687
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-3-(1H-tetrazol-1-yl)benzamide
- IUPAC
- N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide
Names & synonyms
N-(4-bromophenyl)-3-(1H-tetrazol-1-yl)benzamide484039-66-9N-(4-bromophenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)benzamideN-(4-bromophenyl)-3-(tetrazol-1-yl)benzamideN-(4-Bromo-phenyl)-3-tetrazol-1-yl-benzamideOprea1_805066MLS001193262CHEMBL1387081SCHEMBL14705833HIKRKFWWIFACIF-UHFFFAOYSA-NDTXSID801320255HMS2901F14
Show more names
STK864849AKOS000665331EBC-610328SMR000599632ST50310609VU0579375-2AB00683888-01F3296-0370
Database identifiers
- CAS
484039-66-9- PubChem CID
- 862152
- DTXSID
DTXSID801320255- ChEMBL
CHEMBL1387081
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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