(E)-1-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-cyclohexylmethanimine
Basic information
- CAS
58343-51-4- Standard SMILES
Brc1cc2c(cc1C=NC1CCCCC1)OCO2- InChIKey
VTBLKTTZELEKGH-UHFFFAOYSA-N- Molecular formula
- C14H16BrNO2
- Average molar mass
- 310.19 g/mol
- Monoisotopic mass
- 309.03644
Names & identifiers
- Preferred name
- (E)-1-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-cyclohexylmethanimine
- IUPAC
- 1-(6-bromo-1,3-benzodioxol-5-yl)-N-cyclohexylmethanimine
Names & synonyms
58343-51-4NSC283800DTXSID80314455(E)-1-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-cyclohexylmethanimineNSC-283800
Database identifiers
- CAS
58343-51-4- PubChem CID
- 323447
- DTXSID
DTXSID80314455- Nikkaji
- J2.600.704F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
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Compound notes
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