7,7-Dichloro-3-(propan-2-yl)bicyclo[3.2.0]hept-2-en-6-one

HCID 9920846

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Basic information

CAS: 35071-52-4
Standard SMILES: CC(C)C1=CC2C(C1)C(=O)C2(Cl)Cl
InChIKey: DKHVPDGUOMPDSG-UHFFFAOYSA-N
Molecular formula: C10H12Cl2O
Average molar mass: 219.1 g/mol
Monoisotopic mass: 218.0265204

Names & identifiers

Preferred name: 7,7-Dichloro-3-(propan-2-yl)bicyclo[3.2.0]hept-2-en-6-one
IUPAC: 7,7-dichloro-3-propan-2-ylbicyclo[3.2.0]hept-2-en-6-one
English name: 7,7-Dichloro-3-isopropylbicyclo[3.2.0]hept-2-en-6-one
Molecular formula: C10H12Cl2O
Molecular weight: 219.11

Names & synonyms

35071-52-4SCHEMBL31195340DTXSID104328337,7-Dichloro-3-(propan-2-yl)bicyclo[3.2.0]hept-2-en-6-one7,7-Dichloro-3-isopropylbicyclo[3.2.0]hept-2-en-6-oneBicyclo[3.2.0]hept-2-en-6-one, 7,7-dichloro-3-(1-methylethyl)-

Database identifiers

CAS: 35071-52-4
PubChem CID: 9920846
DTXSID: DTXSID10432833
Nikkaji: J20.931G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 291

Physicochemical properties

Boiling point: 303.7 · 303.7±37.0 °C(Predicted)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]

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