Basic information
- Standard SMILES
CCOC(=O)c1cc(C2=C(Br)CCC2)ccc1N- InChIKey
FWNGTVJLVBGSHN-UHFFFAOYSA-N- Molecular formula
- C14H16BrNO2
- Average molar mass
- 310.19 g/mol
- Monoisotopic mass
- 309.03644
Names & identifiers
- Preferred name
- 3-(2-Bromocyclopent-1-enyl)-6-aminobenzoic acid ethyl ester
- IUPAC
- ethyl 2-amino-5-(2-bromocyclopenten-1-yl)benzoate
Names & synonyms
3-(2-bromocyclopent-1-enyl)-6-aminobenzoic acid ethyl ester3-(2-bromocyclopent-1-enyl}-6-aminobenzoic acid ethyl esterSCHEMBL5620232FWNGTVJLVBGSHN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 69507797
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Related reactions
6 records
Compound notes
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