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1- (2-FLuorophenyl) -2-methylpropan-2-ol

CAT: 0127-PC1006347Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC1006347Size:1 g
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CAS Number
1960-55-0
MDL Number
MFCD11610688
Purity
90%
Smiles
CC(O)(CC1=C(C=CC=C1)F)C

Chemical Information

1-(2-Fluorophenyl)-2-methylpropan-2-ol
CAS Number1960-55-0
PubChem CID28344988
IUPAC Name1-(2-fluorophenyl)-2-methylpropan-2-ol
Molecular FormulaC10H13FO
Molecular Weight168.21
XLogP2.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity145
SMILES
CC(C)(CC1=CC=CC=C1F)O
InChI
InChI=1S/C10H13FO/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3
InChIKey
NFOZMGHHOVKFIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Fluorophenyl)-2-methylpropan-2-ol
CAS: 1960-55-0
CID: 28344988
Formula: C10H13FO
MW: 168.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.21
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass168.095043196
Monoisotopic Mass168.095043196
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity145
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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