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1233243-98-5 | 3-Pyridinecarbonitrile, 6-amino-2-(trifluoromethyl)-
CAS No: 1233243-98-5 Catalog No: AG000KBW MDL No:
Product Description
Catalog Number:
AG000KBW
Chemical Name:
3-Pyridinecarbonitrile, 6-amino-2-(trifluoromethyl)-
CAS Number:
1233243-98-5
Molecular Formula:
C7H4F3N3
Molecular Weight:
187.1220
IUPAC Name:
6-amino-2-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H4F3N3/c8-7(9,10)6-4(3-11)1-2-5(12)13-6/h1-2H,(H2,12,13)
InChI Key:
BMYXOZOHXHVIJT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1C(F)(F)F)N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.125g/mol
Monoisotopic Mass:
187.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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