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783-95-9 | nicotinonitrile, 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)-
CAS No: 783-95-9 Catalog No: AG0053K1 MDL No:
Product Description
Catalog Number:
AG0053K1
Chemical Name:
nicotinonitrile, 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)-
CAS Number:
783-95-9
Molecular Formula:
C8H3ClF3N3O2
Molecular Weight:
265.5765
IUPAC Name:
2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C8H3ClF3N3O2/c1-3-6(15(16)17)5(8(10,11)12)4(2-13)7(9)14-3/h1H3
InChI Key:
FNSVJEGHKFDQGK-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nc(c(c1C(F)(F)F)[N+](=O)[O-])C
NSC Number:
61975
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.987g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.576g/mol
Monoisotopic Mass:
264.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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