Prasugrel Impurity

CAT: 1596-AR-P02542-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P02542-04Size:100 Units

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CAS Number

204205-33-4

Synonyms

2-bromo-1-cyclopropyl-2- (2-fluorophenyl) ethanone

Molecular Formula

C11H10BrFO

Molecular Weight

257.1

API Name

Prasugrel

Chemical Information

2-Bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

CAS Number	204205-33-4
PubChem CID	23435871
IUPAC Name	2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
Molecular Formula	C11H10BrFO
Molecular Weight	257.10
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	227

SMILES

C1CC1C(=O)C(C2=CC=CC=C2F)Br

InChI

InChI=1S/C11H10BrFO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2

InChIKey

LMCZCCDXOZGIND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 204205-33-4

CID: 23435871

Formula: C11H10BrFO

MW: 257.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.10
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	255.98991
Monoisotopic Mass	255.98991
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P02537-01	Prasugrel Thioacetal Impurity
AR-P02524-01	Prasugrel Acetyl Impurity
AR-P02535-01	Prasugrel Diketone Impurity
AR-P32368-01	Prasugrel EP Impurity J
AR-P02539-01	Prasugrel N-Acetyl Impurity
AR-P02538-01	Prasugrel alpha-Hydroxy Impurity
AR-P02514-01	Prasugrel EP Impurity B
AR-P32383-01	Prasugrel EP Impurity E
AR-P02504-01	Prasugrel
AR-P02505-01	Prasugrel-d4

Catalog	Name
GSB45937-01	Prasugrel chloride impurity
RM-P181915-01	Prasugrel Impurity O
RM-P181910-01	Prasugrel Impurity J
RM-P181930-01	Prasugrel Impurity 30
RM-P181906-01	Prasugrel Impurity F
RM-P181933-01	Prasugrel Impurity 33
RM-P181921-01	Prasugrel Impurity 21
RM-P181929-01	Prasugrel Impurity 29
RM-P181926-01	Prasugrel Impurity 26
sc-476639	Prasugrel Carboxyenone Impurity