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72537-17-8 | 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine
CAS No: 72537-17-8 Catalog No: AG003J6P MDL No:MFCD00191918
Product Description
Catalog Number:
AG003J6P
Chemical Name:
3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine
CAS Number:
72537-17-8
Molecular Formula:
C6H2ClF4N
Molecular Weight:
199.5334
MDL Number:
MFCD00191918
IUPAC Name:
3-chloro-2-fluoro-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChI Key:
GDSROTVTTLUHCO-UHFFFAOYSA-N
SMILES:
Fc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.533g/mol
Monoisotopic Mass:
198.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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