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117482-75-4 | 1,3,5-Triazine, 2-[4-(methylthio)phenyl]-4,6-bis(tribromomethyl)-
CAS No: 117482-75-4 Catalog No: AG000ECI MDL No:
Product Description
Catalog Number:
AG000ECI
Chemical Name:
1,3,5-Triazine, 2-[4-(methylthio)phenyl]-4,6-bis(tribromomethyl)-
CAS Number:
117482-75-4
Molecular Formula:
C12H7Br6N3S
Molecular Weight:
704.6931
IUPAC Name:
2-(4-methylthiophen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
InChI:
InChI=1S/C10H5Cl6N3S/c1-4-2-5(20-3-4)6-17-7(9(11,12)13)19-8(18-6)10(14,15)16/h2-3H,1H3
InChI Key:
LMRBXDFCBMGAHC-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1nc(nc(n1)C(Br)(Br)Br)C(Br)(Br)Br
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.831g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.931g/mol
Monoisotopic Mass:
408.834g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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