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84852-58-4 | Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 1,4,5,6,7,7-hexachloro-, 2,3-bis[(2,3,4,5,6-pentabromophenyl)methyl]ester
CAS No: 84852-58-4 Catalog No: AG004MPM MDL No:
Product Description
Catalog Number:
AG004MPM
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid, 1,4,5,6,7,7-hexachloro-, 2,3-bis[(2,3,4,5,6-pentabromophenyl)methyl]ester
CAS Number:
84852-58-4
Molecular Formula:
C23H6Br10Cl6O4
Molecular Weight:
1358.0493
IUPAC Name:
bis[(2,3,4,5,6-pentabromophenyl)methyl] 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
InChI:
InChI=1S/C23H6Br10Cl6O4/c24-7-3(8(25)12(29)15(32)11(7)28)1-42-19(40)5-6(22(37)18(35)17(34)21(5,36)23(22,38)39)20(41)43-2-4-9(26)13(30)16(33)14(31)10(4)27/h5-6H,1-2H2
InChI Key:
CTTMERDDZFEXGY-UHFFFAOYSA-N
SMILES:
O=C(C1C(C(=O)OCc2c(Br)c(Br)c(c(c2Br)Br)Br)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl)OCc1c(Br)c(Br)c(c(c1Br)Br)Br
EC Number:
284-372-1
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1357.01g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1358.037g/mol
Monoisotopic Mass:
1345.023g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
12.6
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