Clopidogrel Impurity 45

CAT: 1596-AR-C08112-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08112-02Size:25 Units

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CAS Number

1232407-19-0

Molecular Formula

C9H9BrO2

Molecular Weight

229.07

API Name

Clopidogrel

Chemical Information

1-(2-Bromo-3-methoxyphenyl)ethanone

CAS Number	1232407-19-0
PubChem CID	19702329
IUPAC Name	1-(2-bromo-3-methoxyphenyl)ethanone
Molecular Formula	C9H9BrO2
Molecular Weight	229.07
XLogP	2.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

CC(=O)C1=C(C(=CC=C1)OC)Br

InChI

InChI=1S/C9H9BrO2/c1-6(11)7-4-3-5-8(12-2)9(7)10/h3-5H,1-2H3

InChIKey

HULDTYWPYADGGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1232407-19-0

CID: 19702329

Formula: C9H9BrO2

MW: 229.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.07
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	227.97859
Monoisotopic Mass	227.97859
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C03285-01	Clopidogrel Impurity E (Clopidogrel Sulfonated Impurity)
AR-C03279-01	Clopidogrel Impurity 2 Bromide (Clopidogrel Iminium Impurity)
AR-C08128-01	Clopidogrel Impurity 2 Bromide (rac-Clopidogrel Iminium Impurity)
AR-C05440-01	Clopidogrel Nitroso Impurity
AR-C03280-01	Clopidogrel Impurity 3
AR-C03304-01	Clopidogrel Impurity 19
AR-C03300-01	Clopidogrel Impurity 13
AR-C03294-01	Clopidogrel Impurity 10
AR-C08117-01	Clopidogrel Impurity 48
AR-C08120-01	Clopidogrel Impurity 51

Catalog	Name
OR1042689-01	Clopidogrel IMpurity 2 (Clopidogrel IMiniuM IMpurity)
IC158706-01	Clopidogrel Impurity A
HY-Z4468-01	Clopidogrel impurity 3
RM-C160738-01	Clopidogrel Impurity 12
RM-C160701-01	Clopidogrel EP Impurity A
RM-C160752-01	Clopidogrel Impurity 26
RM-C160760-01	Clopidogrel Impurity 34
RM-C160741-01	Clopidogrel Impurity 15
RM-C160762-01	Clopidogrel Impurity 36
RM-C162818-01	Clopidogrel Impurity 87