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42880-07-9 | 2-(3,4-Dimethoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS No: 42880-07-9 Catalog No: AG003ESY MDL No:MFCD04038154
Product Description
Catalog Number:
AG003ESY
Chemical Name:
2-(3,4-Dimethoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Number:
42880-07-9
Molecular Formula:
C15H11Cl6N3O2
Molecular Weight:
477.9847
MDL Number:
MFCD04038154
IUPAC Name:
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
InChI:
InChI=1S/C15H11Cl6N3O2/c1-25-9-5-3-8(7-10(9)26-2)4-6-11-22-12(14(16,17)18)24-13(23-11)15(19,20)21/h3-7H,1-2H3/b6-4+
InChI Key:
ZJRNXDIVAGHETA-GQCTYLIASA-N
SMILES:
COc1cc(/C=C/c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)ccc1OC
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
476.895g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.972g/mol
Monoisotopic Mass:
474.898g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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