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2- (2-Fluorophenyl) -2-methoxypropanoic acid

CAT: 0926-XZB39262-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-XZB39262-01Size:100 mg
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CAS Number
1247392-62-6
MDL Number
MFCD14635180
Smiles
CC (C1=CC=CC=C1F) (C (=O) O) OC
Molecular Formula
C10H11FO3
Molecular Weight
198.19 g/mol
Controlled
No

Chemical Information

2-(2-Fluorophenyl)-2-methoxypropanoic acid
CAS Number1247392-62-6
PubChem CID61342923
IUPAC Name2-(2-fluorophenyl)-2-methoxypropanoic acid
Molecular FormulaC10H11FO3
Molecular Weight198.19
XLogP1.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity219
SMILES
CC(C1=CC=CC=C1F)(C(=O)O)OC
InChI
InChI=1S/C10H11FO3/c1-10(14-2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13)
InChIKey
LUVSDPOJUUVAES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Fluorophenyl)-2-methoxypropanoic acid
CAS: 1247392-62-6
CID: 61342923
Formula: C10H11FO3
MW: 198.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.19
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass198.06922237
Monoisotopic Mass198.06922237
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity219
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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