Azathioprine Impurity 7

CAT: 1596-AR-A07762-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07762-01Size:10 Units

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CAS Number

1192-53-6

Molecular Formula

C4H4Cl2N2

Molecular Weight

149.975

API Name

Azathioprine

Chemical Information

4,5-Dichloro-1-methylimidazole

CAS Number	1192-53-6
PubChem CID	591536
IUPAC Name	4,5-dichloro-1-methylimidazole
Molecular Formula	C4H4Cl2N2
Molecular Weight	150.99
XLogP	1.1
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	88

SMILES

CN1C=NC(=C1Cl)Cl

InChI

InChI=1S/C4H4Cl2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3

InChIKey

VVYQLPWYFQBZOL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1192-53-6

CID: 591536

Formula: C4H4Cl2N2

MW: 150.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.99
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	149.9751535
Monoisotopic Mass	149.9751535
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	88.1
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