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86344-30-1 | Pyridine, 3-chloro-2-(3,4-dinitrophenoxy)-5-(trifluoromethyl)-
CAS No: 86344-30-1 Catalog No: AG004IUN MDL No:
Product Description
Catalog Number:
AG004IUN
Chemical Name:
Pyridine, 3-chloro-2-(3,4-dinitrophenoxy)-5-(trifluoromethyl)-
CAS Number:
86344-30-1
Molecular Formula:
C12H5ClF3N3O5
Molecular Weight:
363.6334
IUPAC Name:
3-chloro-2-(3,4-dinitrophenoxy)-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C12H5ClF3N3O5/c13-8-3-6(12(14,15)16)5-17-11(8)24-7-1-2-9(18(20)21)10(4-7)19(22)23/h1-5H
InChI Key:
RKJIELRNCUMGRY-UHFFFAOYSA-N
SMILES:
Clc1cc(cnc1Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.987g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.633g/mol
Monoisotopic Mass:
362.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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