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1245915-29-0 | 3-Pyridinecarbonitrile, 6-chloro-5-(trifluoromethyl)-
CAS No: 1245915-29-0 Catalog No: AG000MFV MDL No:
Product Description
Catalog Number:
AG000MFV
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-5-(trifluoromethyl)-
CAS Number:
1245915-29-0
Molecular Formula:
C7H2ClF3N2
Molecular Weight:
206.5524
IUPAC Name:
6-chloro-5-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H2ClF3N2/c8-6-5(7(9,10)11)1-4(2-12)3-13-6/h1,3H
InChI Key:
QEQPZFWFBSRJNA-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.986g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.552g/mol
Monoisotopic Mass:
205.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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