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127342-45-4 | 1,2-dimethyl-4-nitro-1H-imidazole-5-carbonitrile
CAS No: 127342-45-4 Catalog No: AG01BCYQ MDL No:MFCD11557163
Product Description
Catalog Number:
AG01BCYQ
Chemical Name:
1,2-dimethyl-4-nitro-1H-imidazole-5-carbonitrile
CAS Number:
127342-45-4
MDL Number:
MFCD11557163
IUPAC Name:
2,3-dimethyl-5-nitroimidazole-4-carbonitrile
InChI:
InChI=1S/C6H6N4O2/c1-4-8-6(10(11)12)5(3-7)9(4)2/h1-2H3
InChI Key:
UZZVJKPYKYWIAE-UHFFFAOYSA-N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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