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3099-50-1 | Pyridine, 3-(trichloromethyl)-
CAS No: 3099-50-1 Catalog No: AG0031UU MDL No:
Product Description
Catalog Number:
AG0031UU
Chemical Name:
Pyridine, 3-(trichloromethyl)-
CAS Number:
3099-50-1
Molecular Formula:
C6H4Cl3N
Molecular Weight:
196.4617
IUPAC Name:
3-(trichloromethyl)pyridine
InChI:
InChI=1S/C6H4Cl3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H
InChI Key:
QMDKBCLEIGIEBO-UHFFFAOYSA-N
SMILES:
ClC(c1cccnc1)(Cl)Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.941g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.455g/mol
Monoisotopic Mass:
194.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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