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1260790-47-3 | 3-Pyridinecarbonitrile, 5-amino-2-(trifluoromethyl)-
CAS No: 1260790-47-3 Catalog No: AG000RAB MDL No:MFCD11848374
Product Description
Catalog Number:
AG000RAB
Chemical Name:
3-Pyridinecarbonitrile, 5-amino-2-(trifluoromethyl)-
CAS Number:
1260790-47-3
Molecular Formula:
C7H4F3N3
Molecular Weight:
187.1220
MDL Number:
MFCD11848374
IUPAC Name:
5-amino-2-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H4F3N3/c8-7(9,10)6-4(2-11)1-5(12)3-13-6/h1,3H,12H2
InChI Key:
DJVNDYRZYBEEFK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)cnc1C(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:
0.8
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