2-Methyl-5-Nitroimidazole

CAT: 0127-OR1027977-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1027977-01Size:100 g

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CAS Number

88054-22-2

Synonyms

2-methyl-5-nitro-1H-imidazole

Purity

99%

Smiles

CC1=NC=C(N1)[N+](=O)[O-]

Chemical Information

2-Methyl-5-nitroimidazole

2-Methyl-5-nitroimidazole is a member of imidazoles and a C-nitro compound.

CAS Number	88054-22-2
PubChem CID	12760
IUPAC Name	2-methyl-5-nitro-1H-imidazole
Molecular Formula	C4H5N3O2
Molecular Weight	127.10
XLogP	0.3
Topological Polar Surface Area	74.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	121

SMILES

CC1=NC=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)

InChIKey

FFYTTYVSDVWNMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88054-22-2

CID: 12760

Formula: C4H5N3O2

MW: 127.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.10
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	127.038176411
Monoisotopic Mass	127.038176411
Topological Polar Surface Area	74.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	121
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
OR75173-01	1-Methyl-5-nitroimidazole
BUP17803-01	2-Methyl-4-nitroimidazole
OR471087	Methyl 5-Nitroimidazole-4-carboxylate
OR84342-01	Ethyl 1-methyl-2-nitroimidazole-5-carboxylate
OR471118	Methyl 1-Methyl-4-nitroimidazole-2-carboxylate
OR927600-01	1,2-Dimethyl-5-nitroimidazole
OR961982-01	1-Methyl-4-nitroimidazole
OR1036850	1- (3-Chloro-2-hydroxypropyl) -2-methyl-4-nitroimidazole
OR924230	1,4-Dimethyl-5-nitroimidazole
OR1053571-01	5-Methyl-3-nitroimidazo[1,2-a]pyridine

Catalog	Name
MBS6023393-01	2-Methyl-5-nitroimidazole
sc-230524B	2-Methyl-4 (5) -nitroimidazole
HY-W010433R	2-Methyl-5-nitroimidazole (Standard)
M22968	2-Methyl-5-nitroimidazole 99%
TRC-M323810-50G	5-Methyl-4-nitroimidazole
sc-224745	1-Methyl-5-nitroimidazole
FM76444-01	2-Methyl-5-nitroimidazole-1-propanol
RG-A261867-01	1- (2-Chloroethyl) -2-Methyl-5-Nitroimidazole
TRC-C118046-100MG	1-(2-Chloroethyl)-2-methyl-5-nitroimidazole