1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
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Basic information
- CAS
1004193-08-1- Standard SMILES
O=C(O)c1ccn(COc2ccc(F)c(Cl)c2)n1- InChIKey
JXBKDZQBVWHPQT-UHFFFAOYSA-N- Molecular formula
- C11H8ClFN2O3
- Average molar mass
- 270.64 g/mol
- Monoisotopic mass
- 270.020748
Names & identifiers
- Preferred name
- 1-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
- English name
- 1-(3-CHLORO-4-FLUORO-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID
- Molecular formula
- C11H8ClFN2O3
- Molecular weight
- 270.64
Names & synonyms
1004193-08-11-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid1-((3-Chloro-4-fluorophenoxy)methyl)-1H-pyrazole-3-carboxylic acid1-(3-chloro-4-fluorophenoxymethyl)-1H-pyrazole-3-carboxylic acid1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxylic acidMFCD04967901DTXSID9011640821-[(3-chloro-4-fluoro-phenoxy)methyl]pyrazole-3-carboxylic AcidSBB021518STK312618AKOS000306371ST068573
Show more names
AKOS B016845ART-CHEM-BB B0168451-(3-CHLORO-4-FLUORO-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID1H-Pyrazole-3-carboxylic acid, 1-[(3-chloro-4-fluorophenoxy)methyl]-
CS-0268938EN300-836781-((3-Chloro-4-fluorophenoxy)methyl)-1H-pyrazole-3-carboxylicacid1-(3-Chloro-4-fluoro-phenoxymethyl)-1 H -pyrazole-3-carboxylic acid
Database identifiers
- CAS
1004193-08-1- PubChem CID
- 7017307
- DTXSID
DTXSID901164082
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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