Basic information
- CAS
57543-78-9- Standard SMILES
CC1Oc2ccc(Br)cc2C=C1[N+](=O)[O-]- InChIKey
BHJDKSKMSZOUGB-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO3
- Average molar mass
- 270.08 g/mol
- Monoisotopic mass
- 268.96876
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 6-bromo-2-methyl-3-nitro-
- IUPAC
- 6-bromo-2-methyl-3-nitro-2H-chromene
- English name
- 6-Bromo-2-methyl-3-nitro-2H-1-benzopyran
- Molecular formula
- C10H8BrNO3
- Molecular weight
- 270.08
Names & synonyms
6-Bromo-2-methyl-3-nitro-2H-1-benzopyranBRN 16216352H-1-BENZOPYRAN, 6-BROMO-2-METHYL-3-NITRO-DTXSID40973103RefChem:268114DTXCID00140056057543-78-9DB-318016
Database identifiers
- CAS
57543-78-9- PubChem CID
- 42446
- DTXSID
DTXSID40973103- Nikkaji
- J132.058K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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