Omeprazole EP Impurity XI

CAT: 1506-KL-02-01837Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1506-KL-02-01837Size:100 mg

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

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CAS Number

86604-75-3

Specifications

Impurity

Chemical Information

2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochloride

CAS Number	86604-75-3
PubChem CID	11694258
IUPAC Name	2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride
Molecular Formula	C9H13Cl2NO
Molecular Weight	222.11
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	142

SMILES

CC1=CN=C(C(=C1OC)C)CCl.Cl

InChI

InChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H

InChIKey

LCJDHJOUOJSJGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 86604-75-3

CID: 11694258

Formula: C9H13Cl2NO

MW: 222.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.11
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	221.0374194
Monoisotopic Mass	221.0374194
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	142
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	2
Compound Is Canonicalized	Yes