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1260809-92-4 | Pyridine, 5-chloro-4-(1-methylethyl)-2-(trifluoromethyl)-
CAS No: 1260809-92-4 Catalog No: AG000RCX MDL No:
Product Description
Catalog Number:
AG000RCX
Chemical Name:
Pyridine, 5-chloro-4-(1-methylethyl)-2-(trifluoromethyl)-
CAS Number:
1260809-92-4
Molecular Formula:
C9H9ClF3N
Molecular Weight:
223.6227
IUPAC Name:
5-chloro-4-propan-2-yl-2-(trifluoromethyl)pyridine
InChI:
InChI=1S/C9H9ClF3N/c1-5(2)6-3-8(9(11,12)13)14-4-7(6)10/h3-5H,1-2H3
InChI Key:
ZJTJWGSHDTWRAQ-UHFFFAOYSA-N
SMILES:
CC(c1cc(ncc1Cl)C(F)(F)F)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.623g/mol
Monoisotopic Mass:
223.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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