Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])cc2c(=O)oc(-c3cc(C(F)(F)F)nn3-c3ncccc3Cl)nc12- InChIKey
AVLZQKLDFLQMKH-UHFFFAOYSA-N- Molecular formula
- C18H9ClF3N5O4
- Average molar mass
- 451.7 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3-Chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8-methyl-6-nitro-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-methyl-6-nitro-3,1-benzoxazin-4-one
Names & synonyms
2-[1-(3-Chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8-methyl-6-nitro-4H-3,1-benzoxazin-4-oneSCHEMBL44920062-[1-(3-Chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-8-methyl-6-nitro-4H-3, 1-benzoxazin-4-one
Database identifiers
- PubChem CID
- 69064483
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 763
Related reactions
3 records
Compound notes
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