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125407-19-4 | 1,3,5-Triazine, 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-
CAS No: 125407-19-4 Catalog No: AG000NO0 MDL No:
Product Description
Catalog Number:
AG000NO0
Chemical Name:
1,3,5-Triazine, 2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-
CAS Number:
125407-19-4
Molecular Formula:
C12H4Cl6F3N3
Molecular Weight:
459.8935
IUPAC Name:
2,4-bis(trichloromethyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
InChI:
InChI=1S/C12H4Cl6F3N3/c13-10(14,15)8-22-7(23-9(24-8)11(16,17)18)5-1-3-6(4-2-5)12(19,20)21/h1-4H
InChI Key:
MTDGBBNHRZHGEH-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)(F)F
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.846g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.88g/mol
Monoisotopic Mass:
456.849g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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