Basic information
- CAS
57544-07-7- Standard SMILES
COc1ccc(C2Oc3c(cc(Br)cc3OC)C=C2[N+](=O)[O-])cc1- InChIKey
CXWWUABDGHFMMI-UHFFFAOYSA-N- Molecular formula
- C17H14BrNO5
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 391.00554
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 6-bromo-8-methoxy-2-(4-methoxyphenyl)-3-nitro-
- IUPAC
- 6-bromo-8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene
- English name
- 6-Bromo-8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-1-benzopyran
- Molecular formula
- C17H14BrNO5
- Molecular weight
- 392.2
Names & synonyms
6-Bromo-8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-1-benzopyranBRN 1399973DTXSID509731142H-1-BENZOPYRAN, 6-BROMO-8-METHOXY-2-(4-METHOXYPHENYL)-3-NITRO-5-17-05-00441 (Beilstein Handbook Reference)RefChem:268115DTXCID30140057157544-07-7DB-318067
Database identifiers
- CAS
57544-07-7- PubChem CID
- 42457
- DTXSID
DTXSID50973114- Nikkaji
- J132.055F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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