Basic information
- CAS
20177-59-7- Standard SMILES
O=C(O)c1cnnn1-c1ccc(Br)cc1- InChIKey
YOWLKCGBMNMSNB-UHFFFAOYSA-N- Molecular formula
- C9H6BrN3O2
- Average molar mass
- 268.07 g/mol
- Monoisotopic mass
- 266.96434
Names & identifiers
- Preferred name
- 1-(4-bromophenyl)-1H-1,2,3-triazole-5-carboxylic acid
- IUPAC
- 3-(4-bromophenyl)triazole-4-carboxylic acid
Names & synonyms
20177-59-71-(4-bromophenyl)-1H-1,2,3-triazole-5-carboxylic acidSCHEMBL14711270YOWLKCGBMNMSNB-UHFFFAOYSA-NAKOS002675721DB-102663EN300-6953511-(4-bromophenyl)-1H-1,2,3-triazole-5-carboxylicacid3-(4-bromo-phenyl)-3H-[1,2,3]triazole-4-carboxylic acid
Database identifiers
- CAS
20177-59-7- PubChem CID
- 28811300
- EC Number
- 884-383-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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