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85168-82-7 | Diacenaphtho[1,2-j:1',2'-l]fluoranthene,octachloro- (9CI)
CAS No: 85168-82-7 Catalog No: AG004MX7 MDL No:
Product Description
Catalog Number:
AG004MX7
Chemical Name:
Diacenaphtho[1,2-j:1',2'-l]fluoranthene,octachloro- (9CI)
CAS Number:
85168-82-7
Molecular Formula:
C36H10Cl8
Molecular Weight:
726.0886
IUPAC Name:
5,6,7,9,10,31,32,33-octachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26(34),27,29,31-octadecaene
InChI:
InChI=1S/C36H10Cl8/c37-17-10-16-23-21-13-7-2-5-11-4-1-6-12(18(11)13)20(21)22-14-8-3-9-15-19(14)27(32(40)35(43)30(15)38)25(22)26(23)28-24(16)29(31(17)39)34(42)36(44)33(28)41/h1-10H
InChI Key:
CNDNFZKLAIGCKY-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)c(Cl)c2c3c1cccc3c1c2c2c3c(Cl)c(Cl)c(c4c3c(c2c2c1c1cccc3c1c2ccc3)cc(c4Cl)Cl)Cl
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
725.823g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
726.076g/mol
Monoisotopic Mass:
721.829g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.7
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