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Home > Nitro Compounds > 1089330-68-6
1089330-68-6 | 5-Methyl-3-nitropicolinonitrile
CAS No: 1089330-68-6 Catalog No: AG003MVL MDL No:MFCD11227179
Product Description
Catalog Number:
AG003MVL
Chemical Name:
5-Methyl-3-nitropicolinonitrile
CAS Number:
1089330-68-6
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD11227179
IUPAC Name:
5-methyl-3-nitropyridine-2-carbonitrile
InChI:
InChI=1S/C7H5N3O2/c1-5-2-7(10(11)12)6(3-8)9-4-5/h2,4H,1H3
InChI Key:
CWYBJZBJPJILCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)cnc1C#N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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