ethyl 1-(4-bromophenyl)-4-hydroxy-1H-pyrazole-3-carboxylate

HCID 730296

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Basic information

CAS: 78348-13-7
Standard SMILES: CCOC(=O)c1nn(-c2ccc(Br)cc2)cc1O
InChIKey: SQFZPNSZENSXAW-UHFFFAOYSA-N
Molecular formula: C12H11BrN2O3
Average molar mass: 311.13 g/mol
Monoisotopic mass: 309.9953

Names & identifiers

Preferred name: ethyl 1-(4-bromophenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
IUPAC: ethyl 1-(4-bromophenyl)-4-hydroxypyrazole-3-carboxylate

Names & synonyms

78348-13-7ethyl 1-(4-bromophenyl)-4-hydroxy-1H-pyrazole-3-carboxylateethyl 1-(4-bromophenyl)-4-hydroxypyrazole-3-carboxylateAKOS002285204CS-0299018EU-0009618ST50050988SR-01000477039SR-01000477039-1Z56884323F1174-1792ethyl 1-(4-bromophenyl)-4-hydroxy-pyrazole-3-carboxylate

Database identifiers

CAS: 78348-13-7
PubChem CID: 730296
EC Number: 192-609-4

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 295

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