Ornidazole Impurity 31

CAT: 1299-RM-O181431-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O181431-01Size:10 mg

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CAS Number

95880-35-6

Synonyms

2-methyl-1- (oxiran-2-ylmethyl) -1H-imidazole

Molecular Formula

C7H10N2O

Molecular Weight

138.17

Target Alternative Name

Ornidazole

Product Name Synonym

2-methyl-1- (oxiran-2-ylmethyl) -1H-imidazole

Chemical Information

2-Methyl-1-(oxiran-2-ylmethyl)-1H-imidazole

CAS Number	95880-35-6
PubChem CID	16786545
IUPAC Name	2-methyl-1-(oxiran-2-ylmethyl)imidazole
Molecular Formula	C7H10N2O
Molecular Weight	138.17
XLogP	0
Topological Polar Surface Area	30.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

CC1=NC=CN1CC2CO2

InChI

InChI=1S/C7H10N2O/c1-6-8-2-3-9(6)4-7-5-10-7/h2-3,7H,4-5H2,1H3

InChIKey

NCJGPHVZZQWYPB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 95880-35-6

CID: 16786545

Formula: C7H10N2O

MW: 138.17

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	138.17
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	138.079312947
Monoisotopic Mass	138.079312947
Topological Polar Surface Area	30.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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