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Structure

2-(3,4-Dimethoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine

CAS
42880-07-9
Catalog Number
ACM42880079
Category
Other Products
Molecular Weight
478g/mol
Molecular Formula
C15H11Cl6N3O2

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Specification

IUPAC Name
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
Canonical SMILES
COC1=C(C=C(C=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OC
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
Complexity
463
Covalently-Bonded Unit Count
1
Exact Mass
476.895293g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
0
Heavy Atom Count
26
Monoisotopic Mass
474.898243g/mol
Rotatable Bond Count
4
XLogP3
5.5
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