1-[(4-bromo-2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
1001500-72-6- Standard SMILES
O=C(O)c1ccn(COc2ccc(Br)cc2Cl)n1- InChIKey
MJJTVHPXSDXLAU-UHFFFAOYSA-N- Molecular formula
- C11H8BrClN2O3
- Average molar mass
- 331.55 g/mol
- Monoisotopic mass
- 329.94068
Names & identifiers
- Preferred name
- 1-[(4-bromo-2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
- English name
- 1-(4-BROMO-2-CHLORO-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID
- Molecular formula
- C11H8BrClN2O3
- Molecular weight
- 331.55
Names & synonyms
1001500-72-61-[(4-bromo-2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid1-((4-Bromo-2-chlorophenoxy)methyl)-1H-pyrazole-3-carboxylic acid1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid1-(4-bromo-2-chlorophenoxymethyl)-1H-pyrazole-3-carboxylic acidMFCD04969782DTXSID2011673041-[(4-bromo-2-chloro-phenoxy)methyl]pyrazole-3-carboxylic AcidBQB50072SBB022024STK312218AKOS000309879
Show more names
AKOS B020537ART-CHEM-BB B0205371-(4-BROMO-2-CHLORO-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID1H-Pyrazole-3-carboxylic acid, 1-[(4-bromo-2-chlorophenoxy)methyl]-
CS-0264462EN300-92838Z12637387321-((4-Bromo-2-chlorophenoxy)methyl)-1H-pyrazole-3-carboxylicacid
Database identifiers
- CAS
1001500-72-6- PubChem CID
- 7017602
- DTXSID
DTXSID201167304
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
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Compound notes
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