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13182-81-5 | 1H-Imidazole, 1-(2-chloroethyl)-2-methyl-5-nitro-
CAS No: 13182-81-5 Catalog No: AG000ZSF MDL No:MFCD00134457
Product Description
Catalog Number:
AG000ZSF
Chemical Name:
1H-Imidazole, 1-(2-chloroethyl)-2-methyl-5-nitro-
CAS Number:
13182-81-5
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
MDL Number:
MFCD00134457
IUPAC Name:
1-(2-chloroethyl)-2-methyl-5-nitroimidazole
InChI:
InChI=1S/C6H8ClN3O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3H2,1H3
InChI Key:
FSFWMJBQLWFXSM-UHFFFAOYSA-N
SMILES:
ClCCn1c(C)ncc1[N+](=O)[O-]
UNII:
8A2R934D6A
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Imidazole derivatives as possible microbicides with dual protection. | European journal of medicinal chemistry 20100201 |
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