Basic information
- CAS
83772-97-8- Standard SMILES
COc1ccc(N=Cc2cc3c(cc2Br)OCO3)cc1- InChIKey
NHSAPYPXVPGVME-UHFFFAOYSA-N- Molecular formula
- C15H12BrNO3
- Average molar mass
- 334.16 g/mol
- Monoisotopic mass
- 333.00006
Names & identifiers
- Preferred name
- 1-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)methanimine
- IUPAC
- 1-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)methanimine
Names & synonyms
83772-97-8NSC2665001-(6-bromo-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)methanimineDTXSID80313145NSC-266500(E)-1-(6-Bromo-2H-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)methanimine
Database identifiers
- CAS
83772-97-8- PubChem CID
- 320177
- DTXSID
DTXSID80313145
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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