Basic information
- CAS
88186-93-0- Standard SMILES
COc1ccc(C2=C(Br)Cc3ccccc3O2)cc1- InChIKey
HCZTZZFLIIZPPM-UHFFFAOYSA-N- Molecular formula
- C16H13BrO2
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.00989
Names & identifiers
- Preferred name
- 3-Bromo-2-(4-methoxyphenyl)-4H-1-benzopyran
- IUPAC
- 3-bromo-2-(4-methoxyphenyl)-4H-chromene
Names & synonyms
88186-93-03-Bromo-2-(4-methoxyphenyl)-4H-1-benzopyranDTXSID90516180RefChem:277270DTXCID204669873-bromo-2-(4-methoxyphenyl)-4H-chromene
Database identifiers
- CAS
88186-93-0- PubChem CID
- 13045809
- DTXSID
DTXSID90516180
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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