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2- (3-Fluorophenyl) -2-methylpropanoic acid

CAT: 0926-TDA74820-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-TDA74820-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93748-20-0
MDL Number
MFCD11036911
Smiles
CC (C) (C1=CC (=CC=C1) F) C (=O) O
Molecular Formula
C10H11FO2
Molecular Weight
182.2 g/mol
Controlled
No

Chemical Information

2-(3-Fluorophenyl)-2-methylpropanoic acid
CAS Number93748-20-0
PubChem CID25916728
IUPAC Name2-(3-fluorophenyl)-2-methylpropanoic acid
Molecular FormulaC10H11FO2
Molecular Weight182.19
XLogP2.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity201
SMILES
CC(C)(C1=CC(=CC=C1)F)C(=O)O
InChI
InChI=1S/C10H11FO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h3-6H,1-2H3,(H,12,13)
InChIKey
SVKJEUSESWZLJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Fluorophenyl)-2-methylpropanoic acid
CAS: 93748-20-0
CID: 25916728
Formula: C10H11FO2
MW: 182.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.19
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass182.07430775
Monoisotopic Mass182.07430775
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity201
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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