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1,1-Dichloropinacolin

CAT: 0024-sc-485666Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-485666Size:25 g
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CAS Number
22591-21-5

Chemical Information

1,1-Dichloro-3,3-dimethyl-2-butanone
CAS Number22591-21-5
PubChem CID31432
IUPAC Name1,1-dichloro-3,3-dimethylbutan-2-one
Molecular FormulaC6H10Cl2O
Molecular Weight169.05
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity113
SMILES
CC(C)(C)C(=O)C(Cl)Cl
InChI
InChI=1S/C6H10Cl2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3
InChIKey
UDWZXMQIEHAAQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Dichloro-3,3-dimethyl-2-butanone
CAS: 22591-21-5
CID: 31432
Formula: C6H10Cl2O
MW: 169.05
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.05
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass168.0108703
Monoisotopic Mass168.0108703
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity113
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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Alternative Products

CatalogName
AR-M04570-011,1-Dichloropinacolin
OF59775-011,1,1,1,1-Kestoheptaose
1120401,1,1,1-Kestohexose
HY-N6838-011,1,1,1-Kestohexaose
410417-011,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-011-Iodobicyclo[1.1.1]pentane
OR3123881-Phenylbicyclo[1.1.1]pentane
GTR19217879-01AMPK-α1β1γ1 activator 1
DFA88480-011-Bromobicyclo[1.1.1]pentane
OR3001791-Isothiocyanatobicyclo[1.1.1]pentane

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