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Ticagrelor impurity 89

CAT: 0013-GTR19280621-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19280621-02Size:10 mg
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Description
Ticagrelor impurity 89 is a known impurity of Ticagrelor.
CAS Number
1212376-05-0
Smiles
[C@@H] (CCl) (O) C1=CC (F) =C (F) C=C1
Molecular Formula
C8H7ClF2O
Molecular Weight
192.59
Notes
For research use only.

Chemical Information

(1R)-2-chloro-1-(3,4-difluorophenyl)ethanol
CAS Number1212376-05-0
PubChem CID25324206
IUPAC Name(1R)-2-chloro-1-(3,4-difluorophenyl)ethanol
Molecular FormulaC8H7ClF2O
Molecular Weight192.59
XLogP1.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity145
SMILES
C1=CC(=C(C=C1[C@H](CCl)O)F)F
InChI
InChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2/t8-/m0/s1
InChIKey
RYOLLNVCYSUXCP-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (1R)-2-chloro-1-(3,4-difluorophenyl)ethanol
CAS: 1212376-05-0
CID: 25324206
Formula: C8H7ClF2O
MW: 192.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.59
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass192.0153489
Monoisotopic Mass192.0153489
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-T030701-01Ticagrelor Impurity A (Ticagrelor Enantiomer)
CS-O-06349Ticagrelor Impurity A
CS-O-34532TICAGRELOR IMPURITY
AR-T02050-01Ticagrelor Impurity G (Ticagrelor Metabolite)
HY-Z4408-01Ticagrelor impurity 89
HY-77964-01Ticagrelor impurity 11
CS-O-61566Ticagrelor Impurity 27
CS-O-47146Ticagrelor Impurity 39
CS-O-39777Ticagrelor Impurity 21
CS-O-13900Ticagrelor Impurity 7

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