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155613-93-7 | 1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-, octabromo deriv.
CAS No: 155613-93-7 Catalog No: AG001O1Y MDL No:
Product Description
Catalog Number:
AG001O1Y
Chemical Name:
1H-Indene, 2,3-dihydro-1,1,3-trimethyl-3-phenyl-, octabromo deriv.
CAS Number:
155613-93-7
Molecular Formula:
C54H48Br24
Molecular Weight:
2614.6549
IUPAC Name:
2,2,4,5,6,7-hexabromo-1-(2,3-dibromophenyl)-1,3,3-trimethylindene
InChI:
InChI=1S/C18H12Br8/c1-16(2)9-10(13(22)15(24)14(23)12(9)21)17(3,18(16,25)26)7-5-4-6-8(19)11(7)20/h4-6H,1-3H3
InChI Key:
DYJSZBVSJTVTKJ-UHFFFAOYSA-N
SMILES:
BrC1C=C2C(C(C1(Br)Br)(Br)Br)(Br)C(C(C2(C)c1ccccc1)(Br)Br)(C)C.BrC1C=C2C(C(C1(Br)Br)(Br)Br)(Br)C(C(C2(C)c1ccccc1)(Br)Br)(C)C.BrC1C=C2C(C(C1(Br)Br)(Br)Br)(Br)C(C(C2(C)c1ccccc1)(C)C)(Br)Br
EC Number:
605-018-8
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
867.432g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
867.526g/mol
Monoisotopic Mass:
859.441g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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