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Fenfluramine Impurity 9

CAT: 1299-RM-F140909-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F140909-03Size:50 mg
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CAS Number
32857-62-8
Synonyms
2- (4- (trifluoromethyl) phenyl) acetic acid
Molecular Formula
C9H7F3O2
Molecular Weight
204.15
Target Alternative Name
Fenfluramine
Product Name Synonym
2- (4- (trifluoromethyl) phenyl) acetic acid

Chemical Information

(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid
CAS Number32857-62-8
PubChem CID118342
IUPAC Name2-[4-(trifluoromethyl)phenyl]acetic acid
Molecular FormulaC9H7F3O2
Molecular Weight204.15
XLogP2.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity205
SMILES
C1=CC(=CC=C1CC(=O)O)C(F)(F)F
InChI
InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey
HNORVZDAANCHAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid
CAS: 32857-62-8
CID: 118342
Formula: C9H7F3O2
MW: 204.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.15
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass204.03981395
Monoisotopic Mass204.03981395
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity205
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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