Ornidazole Impurity 38

CAT: 1299-RM-O181438-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O181438-01Size:10 mg

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CAS Number

1565482-62-3

Synonyms

1-chloro-3- (2-methyl-1H-imidazol-1-yl) propan-2-ol

Molecular Formula

C7H11ClN2O

Molecular Weight

174.63

Target Alternative Name

Ornidazole

Product Name Synonym

1-chloro-3- (2-methyl-1H-imidazol-1-yl) propan-2-ol

Chemical Information

Ornidazole metabolite M2

CAS Number	1565482-62-3
PubChem CID	112560036
IUPAC Name	1-chloro-3-(2-methylimidazol-1-yl)propan-2-ol
Molecular Formula	C7H11ClN2O
Molecular Weight	174.63
XLogP	0.3
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	123

SMILES

CC1=NC=CN1CC(CCl)O

InChI

InChI=1S/C7H11ClN2O/c1-6-9-2-3-10(6)5-7(11)4-8/h2-3,7,11H,4-5H2,1H3

InChIKey

XFZZBFUQNNJFON-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1565482-62-3

CID: 112560036

Formula: C7H11ClN2O

MW: 174.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.63
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	174.0559907
Monoisotopic Mass	174.0559907
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	123
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