1-(4-bromophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid
Basic information
- CAS
288252-18-6- Standard SMILES
Cc1nn(-c2ccc(Br)cc2)cc1C(=O)O- InChIKey
BORCLBAFDUJOBH-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O2
- Average molar mass
- 281.1 g/mol
- Monoisotopic mass
- 279.98474
Names & identifiers
- Preferred name
- 1-(4-bromophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-(4-bromophenyl)-3-methylpyrazole-4-carboxylic acid
Names & synonyms
1-(4-bromophenyl)-3-methyl-1H-pyrazole-4-carboxylic acid288252-18-61-(4-bromophenyl)-3-methylpyrazole-4-carboxylic acidSCHEMBL6052147DTXSID601191282NLA25218AKOS009307837CS-0224999EN300-1222491-(4-bromophenyl)-3-methyl-pyrazole-4-carboxylic acidZ3813881821-(4-bromophenyl)-3-methyl-1H-pyrazole-4-carboxylicacid
Show more names
1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-3-methyl-
Database identifiers
- CAS
288252-18-6- PubChem CID
- 22228043
- DTXSID
DTXSID601191282
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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