Basic information
- CAS
36039-41-5- Standard SMILES
Nc1ccccc(Br)c1=O- InChIKey
PIDKCMXFTVKLLV-UHFFFAOYSA-N- Molecular formula
- C7H6BrNO
- Average molar mass
- 200.03 g/mol
- Monoisotopic mass
- 198.96328
Names & identifiers
- Preferred name
- 2,4,6-Cycloheptatrien-1-one, 2-amino-7-bromo-
- IUPAC
- 2-amino-7-bromocyclohepta-2,4,6-trien-1-one
- English name
- 2-Amino-7-bromo-2,4,6-cycloheptatrien-1-one
- Molecular weight
- 0
Names & synonyms
2-Amino-7-bromotropone36039-41-52-Amino-7-bromo-2,4,6-cycloheptatrien-1-oneBRN 27163672,4,6-CYCLOHEPTATRIEN-1-ONE, 2-AMINO-7-BROMO-DTXSID401896014-14-00-00038 (Beilstein Handbook Reference)RefChem:245679DTXCID601120922-amino-7-bromocyclohepta-2,4,6-trien-1-oneSCHEMBL11193582PIDKCMXFTVKLLV-UHFFFAOYSA-N
Database identifiers
- CAS
36039-41-5- PubChem CID
- 37346
- DTXSID
DTXSID40189601- Nikkaji
- J78.725F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 250
Related reactions
3 records
Compound notes
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