1-[(2,3-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1004193-01-4- Standard SMILES
O=C(O)c1ccn(COc2cccc(Cl)c2Cl)n1- InChIKey
FEUKMTTXQLBZAM-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N2O3
- Average molar mass
- 287.1 g/mol
- Monoisotopic mass
- 285.9911975
Names & identifiers
- Preferred name
- 1-[(2,3-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxylic acid
- English name
- 1-(2,3-DICHLORO-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID
- Molecular formula
- C11H8Cl2N2O3
- Molecular weight
- 287.1
Names & synonyms
1004193-01-41-[(2,3-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid1-((2,3-Dichlorophenoxy)methyl)-1H-pyrazole-3-carboxylic acid1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxylic AcidMFCD04967888DTXSID4011811921-(2,3-Dichloro-phenoxymethyl)-1 H -pyrazole-3-carboxylic acidSBB021512STK313317AKOS000306472CS-0268657ST45092542
Show more names
AKOS B016830ART-CHEM-BB B0168301-(2,3-DICHLORO-PHENOXYMETHYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID1H-Pyrazole-3-carboxylic acid, 1-[(2,3-dichlorophenoxy)methyl]-
EN300-836751-((2,3-Dichlorophenoxy)methyl)-1H-pyrazole-3-carboxylicacid
Database identifiers
- CAS
1004193-01-4- PubChem CID
- 7017299
- DTXSID
DTXSID401181192
Properties
Computed structural properties
- XLogP
- 3
- 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
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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