Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate
Basic information
- CAS
313674-09-8- Standard SMILES
COC(=O)c1ccc(-n2cccn2)cc1Cl- InChIKey
HXJXLEKOOHNJOB-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0352552
Names & identifiers
- Preferred name
- Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate
- IUPAC
- methyl 2-chloro-4-pyrazol-1-ylbenzoate
- English name
- Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoate
- Molecular formula
- C11H9ClN2O2
- Molecular weight
- 236.65
Names & synonyms
313674-09-8Methyl 2-chloro-4-(1H-pyrazol-1-yl)benzoatemethyl 2-chloro-4-pyrazol-1-ylbenzoateMethyl 2-chloro-4-(1H-pyrazol-1-yl)-benzenecarboxylatemethyl 2-chloro-4-(1H-pyrazol-1-yl)benzene carboxylateMFCD04124715DTXSID10377013methyl 2-chloro-4-pyrazolylbenzoateSBB098666AKOS005069789methyl 2-chloro-4-pyrazol-1-yl-benzoateMethyl2-chloro-4-(1H-pyrazol-1-yl)benzoate
Show more names
2-chloro-4-(pyrazol-1-yl)benzoic acid methyl esterBenzoic acid, 2-chloro-4-(1H-pyrazol-1-yl)-, methyl ester
1T-1485
Database identifiers
- CAS
313674-09-8- PubChem CID
- 2763554
- DTXSID
DTXSID10377013
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 356.7 · 356.7±32.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.73 · -0.73±0.12(Predicted)
- 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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