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81565-18-6 | 2-Chloro-4-(Trifluoromethyl)Pyridine
CAS No: 81565-18-6 Catalog No: AG00337P MDL No:MFCD00042224
Product Description
Catalog Number:
AG00337P
Chemical Name:
2-Chloro-4-(Trifluoromethyl)Pyridine
CAS Number:
81565-18-6
Molecular Formula:
C6H3ClF3N
Molecular Weight:
181.5429
MDL Number:
MFCD00042224
IUPAC Name:
2-chloro-4-(trifluoromethyl)pyridine
InChI:
InChI=1S/C6H3ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
InChI Key:
GBNPVXZNWBWNEN-UHFFFAOYSA-N
SMILES:
Clc1nccc(c1)C(F)(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:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis of novel analogues of marine indole alkaloids: mono(indolyl)-4-trifluoromethylpyridines and bis(indolyl)-4-trifluoromethylpyridines as potential anticancer agents. | Bioorganic & medicinal chemistry 20010701 |
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