Basic information
- CAS
91396-23-5- Standard SMILES
Cc1cc(C(=O)NNCc2ccccc2Cl)no1- InChIKey
BQKPYJPXNTYNQV-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O2
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0618043
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(o-chlorobenzyl)hydrazide
- IUPAC
- N'-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-3-carbohydrazide
Names & synonyms
91396-23-5BRN 08032833-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-(o-CHLOROBENZYL)HYDRAZIDE5-Methyl-3-isoxazolecarboxylic acid 2-(o-chlorobenzyl)hydrazideDTXSID40238542RefChem:280270DTXCID90161033N'-(2-Chlorobenzyl)-5-methylisoxazole-3-carbohydrazideN'-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-3-carbohydrazide
Database identifiers
- CAS
91396-23-5- PubChem CID
- 56231
- DTXSID
DTXSID40238542- Nikkaji
- J96.732G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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