Basic information
- Standard SMILES
O=Cc1ccc(OC(F)F)c(Oc2ccc([N+](=O)[O-])cc2Br)c1- InChIKey
GBTGWCFHUNAGEZ-UHFFFAOYSA-N- Molecular formula
- C14H8BrF2NO5
- Average molar mass
- 388.12 g/mol
Names & identifiers
- Preferred name
- 4-Difluoromethoxy-3-(4-nitro-2-bromophenoxy)benzaldehyde
- IUPAC
- 3-(2-bromo-4-nitrophenoxy)-4-(difluoromethoxy)benzaldehyde
Names & synonyms
4-difluoromethoxy-3-(4-nitro-2-bromophenoxy)benzaldehydeSCHEMBL13021473-(2-bromo-4-nitrophenoxy)-4-(difluoromethoxy)benzaldehyde
Database identifiers
- PubChem CID
- 24758282
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
6 records
Compound notes
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