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85148-26-1 | 3-Chloro-5-(trifluoromethyl)pyridine
CAS No: 85148-26-1 Catalog No: AG0033O2 MDL No:MFCD00042227
Product Description
Catalog Number:
AG0033O2
Chemical Name:
3-Chloro-5-(trifluoromethyl)pyridine
CAS Number:
85148-26-1
Molecular Formula:
C6H3ClF3N
Molecular Weight:
181.5429
MDL Number:
MFCD00042227
IUPAC Name:
3-chloro-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C6H3ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChI Key:
OMRCXTBFBBWTDL-UHFFFAOYSA-N
SMILES:
FC(c1cncc(c1)Cl)(F)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.542g/mol
Monoisotopic Mass:
180.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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