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42573-57-9 | 2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS No: 42573-57-9 Catalog No: AG003FOS MDL No:MFCD01940892
Product Description
Catalog Number:
AG003FOS
Chemical Name:
2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Number:
42573-57-9
Molecular Formula:
C14H9Cl6N3O
Molecular Weight:
447.9588
MDL Number:
MFCD01940892
IUPAC Name:
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
InChI:
InChI=1S/C14H9Cl6N3O/c1-24-9-5-2-8(3-6-9)4-7-10-21-11(13(15,16)17)23-12(22-10)14(18,19)20/h2-7H,1H3/b7-4+
InChI Key:
MCNPOZMLKGDJGP-QPJJXVBHSA-N
SMILES:
COc1ccc(cc1)/C=C/c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
EC Number:
255-893-1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
446.885g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.946g/mol
Monoisotopic Mass:
444.888g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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