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Canagliflozin Impurity 70

CAT: 1299-RM-C182570-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C182570-01Size:10 mg
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CAS Number
2265214-89-7
Synonyms
2- (4-bromo-2-methylbenzyl) -5- (4-fluorophenyl) thiophene
Molecular Formula
C18H14BrFS
Molecular Weight
361.27
Target Alternative Name
Canagliflozin
Product Name Synonym
2- (4-bromo-2-methylbenzyl) -5- (4-fluorophenyl) thiophene

Chemical Information

2-(4-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene
CAS Number2265214-89-7
PubChem CID141409405
IUPAC Name2-[(4-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
Molecular FormulaC18H14BrFS
Molecular Weight361.3
XLogP6.4
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity329
SMILES
CC1=C(C=CC(=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H14BrFS/c1-12-10-15(19)5-2-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
InChIKey
IZKMWFGAASNLPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene
CAS: 2265214-89-7
CID: 141409405
Formula: C18H14BrFS
MW: 361.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.3
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass359.99836
Monoisotopic Mass359.99836
Topological Polar Surface Area28.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity329
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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