Basic information
- CAS
304452-38-8- Standard SMILES
Cc1[nH]c2ccccc2c1C=NNC(=O)c1cccc(Br)c1- InChIKey
GTLPWRSHLBDHEY-UHFFFAOYSA-N- Molecular formula
- C17H14BrN3O
- Average molar mass
- 356.2 g/mol
Names & identifiers
- Preferred name
- 3-bromo-N-[(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
- IUPAC
- 3-bromo-N-[(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
- English name
- 3-bromo-N'-[(2-methyl-1H-indol-3-yl)methylene]benzohydrazide
- Molecular formula
- C17H14BrN3O
- Molecular weight
- 356.22
Names & synonyms
CBMicro_016527HMS2863J063-bromo-N'-[(2-methyl-1H-indol-3-yl)methylene]benzohydrazide3-BROMO-BENZOIC ACID (2-METHYL-1H-INDOL-3-YLMETHYLENE)-HYDRAZIDEBenzoic acid, 3-bromo-, 2-[(2-methyl-1H-indol-3-yl)methylene]hydrazide
Database identifiers
- CAS
304452-38-8
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 12.21 · 12.21±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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