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Home > Imidazoles > 109012-46-6
109012-46-6 | 1H-Imidazole-2-carbonylchloride, 1-methyl-4-nitro-
CAS No: 109012-46-6 Catalog No: AG007TRU MDL No:
Product Description
Catalog Number:
AG007TRU
Chemical Name:
1H-Imidazole-2-carbonylchloride, 1-methyl-4-nitro-
CAS Number:
109012-46-6
Molecular Formula:
C5H4ClN3O3
Molecular Weight:
189.5566
IUPAC Name:
1-methyl-4-nitroimidazole-2-carbonyl chloride
InChI:
InChI=1S/C5H4ClN3O3/c1-8-2-3(9(11)12)7-5(8)4(6)10/h2H,1H3
InChI Key:
DOIVDOOHZBARHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(n1)C(=O)Cl)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.555g/mol
Monoisotopic Mass:
188.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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