Basic information
- CAS
681537-05-3- Standard SMILES
C[C@H]1[C@H](Br)[C@H]1C=O- InChIKey
PVTMFVWXUJEOAU-WISUUJSJSA-N- Molecular formula
- C5H7BrO
- Average molar mass
- 163.01 g/mol
Names & identifiers
- Preferred name
- (1R,2S,3R)-2-bromo-3-methylcyclopropane-1-carbaldehyde
- IUPAC
- (1R,2S,3R)-2-bromo-3-methylcyclopropane-1-carbaldehyde
- English name
- Cyclopropanecarboxaldehyde, 2-bromo-3-methyl-, (1R,2S,3R)-rel- (9CI)
- Molecular formula
- C5H7BrO
- Molecular weight
- 163.01
Names & synonyms
Cyclopropanecarboxaldehyde, 2-bromo-3-methyl-, (1R,2S,3R)-rel-Cyclopropanecarboxaldehyde, 2-bromo-3-methyl-, (1R,2S,3R)-rel- (9CI)
Database identifiers
- CAS
681537-05-3- Nikkaji
- J2.029.625I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 92.1
Physicochemical properties
- Boiling point
- 169.2 · 169.2±33.0 °C(Predicted)
- Density
- 1.731 · 1.731±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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