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1227606-22-5 | Pyridine, 5-chloro-2-(chloromethyl)-3-(trifluoromethyl)-
CAS No: 1227606-22-5 Catalog No: AG000JEM MDL No:
Product Description
Catalog Number:
AG000JEM
Chemical Name:
Pyridine, 5-chloro-2-(chloromethyl)-3-(trifluoromethyl)-
CAS Number:
1227606-22-5
Molecular Formula:
C7H4Cl2F3N
Molecular Weight:
230.0146
IUPAC Name:
5-chloro-2-(chloromethyl)-3-(trifluoromethyl)pyridine
InChI:
InChI=1S/C7H4Cl2F3N/c8-2-6-5(7(10,11)12)1-4(9)3-13-6/h1,3H,2H2
InChI Key:
VETYBESERYLQPV-UHFFFAOYSA-N
SMILES:
ClCc1ncc(cc1C(F)(F)F)Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.967g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.011g/mol
Monoisotopic Mass:
228.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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