Methyl (2-methyl-4-nitro-1H-imidazol-1-yl)acetate - CAS 25023-24-9

Catalog:	BB047670
Product Name:	Methyl (2-methyl-4-nitro-1H-imidazol-1-yl)acetate
CAS:	25023-24-9
Synonyms:	Methyl 2-(2-methyl-4-nitroimidazolyl)acetate

Technical Data

Computed Properties

IUPAC Name:	methyl 2-(2-methyl-4-nitroimidazol-1-yl)acetate
Description:	Methyl (2-methyl-4-nitro-1H-imidazol-1-yl)acetate (CAS# 25023-24-9 ) is a useful research chemical.
Molecular Weight:	199.16
Molecular Formula:	C7H9N3O4
Canonical SMILES:	CC1=NC(=CN1CC(=O)OC)[N+](=O)[O-]
InChI:	InChI=1S/C7H9N3O4/c1-5-8-6(10(12)13)3-9(5)4-7(11)14-2/h3H,4H2,1-2H3
InChI Key:	UBPSDJINTHTAGK-UHFFFAOYSA-N
Solubility:	>29.9 [ug/mL] (The mean of the results at pH 7.4)

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

Imidazoles

[152536-39-5]
1,4,5-Trimethyl-2-phenyl-1H-imidazole
[97403-83-3]
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
[74840-99-6]
ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
[1011398-11-0]
Ethyl 2-(1H-imidazol-1-yl)butanoate
[832134-28-8]
1-(4-Ethoxyphenyl)-3-ethyl-2-thioxoimidazolidin-4-one
[287917-54-8]
3-(2-Furylmethyl)-2-mercapto-3,5-dihydro-4H-imidazol-4-one

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[5334-43-0]
5-Amino-1-phenylpyrazole-4-carbonitrile

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[88-60-8]
2-tert-Butyl-5-methylphenol

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.05930578
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.05930578
Rotatable Bond Count:	3
Topological Polar Surface Area:	89.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2