Ziprasidone Impurity 47

CAT: 1299-RM-Z161847-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-Z161847-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

177985-31-8

Synonyms

2- (2-amino-4-chlorophenyl) acetic acid

Molecular Formula

C8H8ClNO2

Molecular Weight

185.61

Target Alternative Name

Ziprasidone

Product Name Synonym

2- (2-amino-4-chlorophenyl) acetic acid

Chemical Information

2-(2-Amino-4-chlorophenyl)acetic acid

CAS Number	177985-31-8
PubChem CID	21689839
IUPAC Name	2-(2-amino-4-chlorophenyl)acetic acid
Molecular Formula	C8H8ClNO2
Molecular Weight	185.61
XLogP	1.3
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

C1=CC(=C(C=C1Cl)N)CC(=O)O

InChI

InChI=1S/C8H8ClNO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3,10H2,(H,11,12)

InChIKey

ZQCSZENEUSNHTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 177985-31-8

CID: 21689839

Formula: C8H8ClNO2

MW: 185.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.61
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	185.0243562
Monoisotopic Mass	185.0243562
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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
RM-Z161801-01	Ziprasidone EP Impurity A; Ziprasidone USP Rc A
RM-Z161849-01	Ziprasidone Impurity 49
RM-Z161850-01	Ziprasidone Impurity 50
RM-Z161843-01	Ziprasidone Impurity 43
RM-Z161815-01	Ziprasidone Impurity 15
RM-Z161817-01	Ziprasidone Impurity 17
RM-Z161819-01	Ziprasidone Impurity 19
RM-Z161848-01	Ziprasidone Impurity 48
RM-Z161808-01	Ziprasidone Impurity 8
RM-Z161854-01	Ziprasidone Impurity 54

Catalog	Name
AR-Z01228-01	Ziprasidone Impurity A
AR-Z01089-01	Ziprasidone Impurity
sc-216533	3-Oxo Ziprasidone (Ziprasidone Impurity B)
AR-Z01088-01	Ziprasidone Impurity B
CS-T-05055	Ziprasidone Impurity 3
AR-Z01361-01	Ziprasidone Keto Impurity
AR-Z01358-01	Ziprasidone Impurity 18
CS-T-69030	Ziprasidone Impurity 1
CS-T-52679	Ziprasidone Impurity 7
AR-Z01086-01	Ziprasidone Impurity F