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131644-78-5 | Benzene, 1,1'-oxybis[2,3,5,6-tetrabromo-4-(pentabromophenoxy)- (9CI)
CAS No: 131644-78-5 Catalog No: AG000ZJC MDL No:
Product Description
Catalog Number:
AG000ZJC
Chemical Name:
Benzene, 1,1'-oxybis[2,3,5,6-tetrabromo-4-(pentabromophenoxy)- (9CI)
CAS Number:
131644-78-5
Molecular Formula:
C24Br18O3
Molecular Weight:
1774.5270
IUPAC Name:
1,2,3,4,5-pentabromo-6-[2,3,5,6-tetrabromo-4-[2,3,5,6-tetrabromo-4-(2,3,4,5,6-pentabromophenoxy)phenoxy]phenoxy]benzene
InChI:
InChI=1S/C24Br18O3/c25-1-3(27)7(31)19(8(32)4(1)28)43-21-11(35)15(39)23(16(40)12(21)36)45-24-17(41)13(37)22(14(38)18(24)42)44-20-9(33)5(29)2(26)6(30)10(20)34
InChI Key:
OBTICIKBNQFMAT-UHFFFAOYSA-N
SMILES:
Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Oc1c(Br)c(Br)c(c(c1Br)Br)Br)Br
Properties
Complexity:
854
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1774.496g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1774.533g/mol
Monoisotopic Mass:
1756.515g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19
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