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147345-63-9 | Pyridine, 3-chloro-2-(3-chloro-4-nitrophenoxy)-5-(trifluoromethyl)-
CAS No: 147345-63-9 Catalog No: AG001ETD MDL No:
Product Description
Catalog Number:
AG001ETD
Chemical Name:
Pyridine, 3-chloro-2-(3-chloro-4-nitrophenoxy)-5-(trifluoromethyl)-
CAS Number:
147345-63-9
Molecular Formula:
C12H5Cl2F3N2O3
Molecular Weight:
353.0809
IUPAC Name:
3-chloro-2-(3-chloro-4-nitrophenoxy)-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C12H5Cl2F3N2O3/c13-8-4-7(1-2-10(8)19(20)21)22-11-9(14)3-6(5-18-11)12(15,16)17/h1-5H
InChI Key:
JRQPTXWLEOMUCX-UHFFFAOYSA-N
SMILES:
Clc1cc(cnc1Oc1ccc(c(c1)Cl)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.963g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.078g/mol
Monoisotopic Mass:
351.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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