Basic information
- CAS
57543-95-0- Standard SMILES
COc1ccccc1C1Oc2ccc(Br)cc2C=C1[N+](=O)[O-]- InChIKey
VHWZHTFTOYZFRD-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO4
- Average molar mass
- 362.17 g/mol
- Monoisotopic mass
- 360.99497
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 6-bromo-2-(2-methoxyphenyl)-3-nitro-
- IUPAC
- 6-bromo-2-(2-methoxyphenyl)-3-nitro-2H-chromene
- English name
- 6-Bromo-2-(2-methoxyphenyl)-3-nitro-2H-1-benzopyran
- Molecular formula
- C16H12BrNO4
- Molecular weight
- 362.17
Names & synonyms
6-Bromo-2-(2-methoxyphenyl)-3-nitro-2H-1-benzopyranBRN 13974372H-1-BENZOPYRAN, 6-BROMO-2-(2-METHOXYPHENYL)-3-NITRO-DTXSID909731135-17-04-00591 (Beilstein Handbook Reference)RefChem:268111DTXCID60140057057543-95-0Oprea1_097368SCHEMBL16602970DB-317982
Database identifiers
- CAS
57543-95-0- PubChem CID
- 42456
- DTXSID
DTXSID90973113- Nikkaji
- J132.057B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 480.6 · 480.6±45.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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