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1807158-83-3 | 4-Pyridinecarbonitrile, 2-amino-6-(trifluoromethyl)-
CAS No: 1807158-83-3 Catalog No: AG0022A0 MDL No:
Product Description
Catalog Number:
AG0022A0
Chemical Name:
4-Pyridinecarbonitrile, 2-amino-6-(trifluoromethyl)-
CAS Number:
1807158-83-3
Molecular Formula:
C7H4F3N3
Molecular Weight:
187.1220
IUPAC Name:
2-amino-6-(trifluoromethyl)pyridine-4-carbonitrile
InChI:
InChI=1S/C7H4F3N3/c8-7(9,10)5-1-4(3-11)2-6(12)13-5/h1-2H,(H2,12,13)
InChI Key:
YNCSUEJINXCKST-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)nc(c1)C(F)(F)F
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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