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138738-18-8 | 1,3,5-Triazine, 2-[4-(1-phenylethyl)phenyl]-4,6-bis(trichloromethyl)-
CAS No: 138738-18-8 Catalog No: AG0019G7 MDL No:
Product Description
Catalog Number:
AG0019G7
Chemical Name:
1,3,5-Triazine, 2-[4-(1-phenylethyl)phenyl]-4,6-bis(trichloromethyl)-
CAS Number:
138738-18-8
Molecular Formula:
C19H13Cl6N3
Molecular Weight:
496.0446
IUPAC Name:
2-[4-(1-phenylethyl)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
InChI:
InChI=1S/C19H13Cl6N3/c1-11(12-5-3-2-4-6-12)13-7-9-14(10-8-13)15-26-16(18(20,21)22)28-17(27-15)19(23,24)25/h2-11H,1H3
InChI Key:
LFMJMMLDPWGXTR-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)c1ccc(cc1)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.921g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
496.034g/mol
Monoisotopic Mass:
492.924g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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