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Cyclopropyl (3,5-dichlorophenyl) methanone

CAT: 0926-YKB79030-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YKB79030-01Size:50 mg
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CAS Number
898790-30-2
MDL Number
MFCD03841240
Smiles
C1CC1C (=O) C2=CC (=CC (=C2) Cl) Cl
Molecular Formula
C10H8Cl2O
Molecular Weight
215.07 g/mol
Controlled
No

Chemical Information

Cyclopropyl 3,5-dichlorophenyl ketone
CAS Number898790-30-2
PubChem CID24724109
IUPAC Namecyclopropyl-(3,5-dichlorophenyl)methanone
Molecular FormulaC10H8Cl2O
Molecular Weight215.07
XLogP3.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity203
SMILES
C1CC1C(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2O/c11-8-3-7(4-9(12)5-8)10(13)6-1-2-6/h3-6H,1-2H2
InChIKey
KYRDLCHKSRBJQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopropyl 3,5-dichlorophenyl ketone
CAS: 898790-30-2
CID: 24724109
Formula: C10H8Cl2O
MW: 215.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.07
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass213.9952203
Monoisotopic Mass213.9952203
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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