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82001-21-6 | 1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, 1,2-bis[(2,3,4,5,6-pentabromophenyl)methyl] ester
CAS No: 82001-21-6 Catalog No: AG005EPM MDL No:
Product Description
Catalog Number:
AG005EPM
Chemical Name:
1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, 1,2-bis[(2,3,4,5,6-pentabromophenyl)methyl] ester
CAS Number:
82001-21-6
Molecular Formula:
C22H4Br14O4
Molecular Weight:
1450.9208
IUPAC Name:
bis[(2,3,4,5,6-pentabromophenyl)methyl] 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C22H4Br14O4/c23-7-3(8(24)14(30)19(35)13(7)29)1-39-21(37)5-6(12(28)18(34)17(33)11(5)27)22(38)40-2-4-9(25)15(31)20(36)16(32)10(4)26/h1-2H2
InChI Key:
NIMRNRQNVGDVEU-UHFFFAOYSA-N
SMILES:
O=C(c1c(C(=O)OC(c2ccc(c(c2Br)Br)Br)(Br)Br)c(Br)c(c(c1Br)Br)Br)OC(c1ccc(c(c1Br)Br)Br)(Br)Br
EC Number:
279-872-1
Properties
Complexity:
802
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1450.853g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1450.926g/mol
Monoisotopic Mass:
1436.868g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3
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