Basic information
- CAS
96730-43-7- Standard SMILES
COc1ccc(C[NH2+]NC(=O)c2cc(C)on2)cc1.[Cl-]- InChIKey
GKMDBFOUJNFCFE-UHFFFAOYSA-N- Molecular formula
- C13H16ClN3O3
- Average molar mass
- 297.74 g/mol
- Monoisotopic mass
- 297.0880191
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(p-methoxybenzyl)hydrazide, hydrochloride
- IUPAC
- (4-methoxyphenyl)methyl-[(5-methyl-1,2-oxazole-3-carbonyl)amino]azanium chloride
Names & synonyms
96730-43-73-Isoxazolecarboxylic acid, 5-methyl-, 2-(p-methoxybenzyl)hydrazide, hydrochloride5-Methyl-3-isoxazolecarboxylic acid 2-(p-methoxybenzyl)hydrazide hydrochlorideRefChem:280274N'-(4-Methoxybenzyl)-5-methylisoxazole-3-carbohydrazidehydrochloride(4-Methoxyphenyl)methyl-[(5-methyl-1,2-oxazole-3-carbonyl)amino]azaniumchloride(4-methoxyphenyl)methyl-[(5-methyl-1,2-oxazole-3-carbonyl)amino]azanium;chlorideCID57124, LS-86626, 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(p-methoxybenzyl)hydrazide, hydrochloride, 5-Methyl-3-isoxazolecarboxylic acid 2-(p-methoxybenzyl)hydrazide hydrochloride, 96730-43-7
Database identifiers
- CAS
96730-43-7- PubChem CID
- 57124
Properties
Computed structural properties
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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