Basic information
- CAS
55700-98-6- Standard SMILES
CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1- InChIKey
GNJFNKNVSCTPDC-IEBWSBKVSA-N- Molecular formula
- C21H20Br2O3
- Average molar mass
- 480.2 g/mol
- Monoisotopic mass
- 477.97792
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, (1R,3R)-3-(2,2-Dibromoethenyl)-2,2-dimethyl-(3-phenoxyphenyl)methyl ester
- IUPAC
- trans-(3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
DTXSID201035218Cyclopropanecarboxylic acid, (1R,3R)-3-(2,2-Dibromoethenyl)-2,2-dimethyl-(3-phenoxyphenyl)methyl esterRefChem:1082760DTXCID50151965555700-98-6(3-phenoxyphenyl)methyl (1S,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylateRU 23603Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)-Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1S,3S)-
Database identifiers
- CAS
55700-98-6- PubChem CID
- 41538
- DTXSID
DTXSID201035218
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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