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Basic information
- CAS
77789-43-6- Standard SMILES
CC1(C)[C@H](C(=O)Cl)[C@@H]1C=C1CCCC1- InChIKey
MQAGSSWNUYYWCU-UWVGGRQHSA-N- Molecular formula
- C12H17ClO
- Average molar mass
- 212.71 g/mol
- Monoisotopic mass
- 212.0967929
Names & identifiers
- Preferred name
- (1R,3S)-3-(Cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
- IUPAC
- trans-(1R,3S)-3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
- English name
- Cyclopropanecarbonyl chloride, 3-(cyclopentylidenemethyl)-2,2-dimethyl-, (1R-cis)- (9CI)
- Molecular formula
- C12H17ClO
- Molecular weight
- 212.71578
Names & synonyms
77789-43-6(1R,3S)-3-(Cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carbonyl chlorideSCHEMBL11060755DTXSID90665021MQAGSSWNUYYWCU-UWVGGRQHSA-N(1R,3S) 2,2-dimethyl-3-(cyclopentylidenemethyl)-cyclopropane-1-carboxylic acid chloride(1R,cis) 2,2-dimethyl-3-(cyclopentylidenemethyl)-cyclopropane-carboxylic acid chlorideCyclopropanecarbonyl chloride, 3-(cyclopentylidenemethyl)-2,2-dimethyl-, (1R-cis)- (9CI)
Database identifiers
- CAS
77789-43-6- PubChem CID
- 45082002
- DTXSID
DTXSID90665021
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 283
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
2 records
Compound notes
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