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2- (2-Fluorophenyl) -2-methylpropane-1,3-diol

CAT: 0926-EKC11166-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-EKC11166-01Size:50 mg
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CAS Number
1504111-66-3
MDL Number
MFCD21927420
Smiles
CC (CO) (CO) C1=CC=CC=C1F
Molecular Formula
C10H13FO2
Molecular Weight
184.21 g/mol
Controlled
No

Chemical Information

2-(2-Fluorophenyl)-2-methylpropane-1,3-diol
CAS Number1504111-66-3
PubChem CID75356216
IUPAC Name2-(2-fluorophenyl)-2-methylpropane-1,3-diol
Molecular FormulaC10H13FO2
Molecular Weight184.21
XLogP1.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
CC(CO)(CO)C1=CC=CC=C1F
InChI
InChI=1S/C10H13FO2/c1-10(6-12,7-13)8-4-2-3-5-9(8)11/h2-5,12-13H,6-7H2,1H3
InChIKey
NKNGZRLGRDGRQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Fluorophenyl)-2-methylpropane-1,3-diol
CAS: 1504111-66-3
CID: 75356216
Formula: C10H13FO2
MW: 184.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.21
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass184.08995782
Monoisotopic Mass184.08995782
Topological Polar Surface Area40.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
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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