Basic information
- CAS
65441-77-2- Standard SMILES
CC1(C)CC(C)(OC(=O)c2ccccc2Cl)N=N1- InChIKey
GMALKTMWHJVDTK-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O2
- Average molar mass
- 266.72 g/mol
- Monoisotopic mass
- 266.0822054
Names & identifiers
- Preferred name
- (3,5,5-trimethyl-4H-pyrazol-3-yl) 2-chlorobenzoate
- IUPAC
- (3,5,5-trimethyl-4H-pyrazol-3-yl) 2-chlorobenzoate
Names & synonyms
65441-77-2(3,5,5-trimethyl-4H-pyrazol-3-yl) 2-chlorobenzoateNSC267015DTXSID90313176NSC-267015DS-0072043,5,5-Trimethyl-4,5-dihydro-3H-pyrazol-3-yl 2-chlorobenzoateBENZOICACID, 2-CHLORO-, 4,5-DIHYDRO-3,5,5-TRIMETHYL-3H-PYRAZOL-3-YL ESTER
Database identifiers
- CAS
65441-77-2- PubChem CID
- 320256
- DTXSID
DTXSID90313176
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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