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88465-06-9 | Disulfide, 4-chlorophenyl5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl
CAS No: 88465-06-9 Catalog No: AG004C8Y MDL No:
Product Description
Catalog Number:
AG004C8Y
Chemical Name:
Disulfide, 4-chlorophenyl5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl
CAS Number:
88465-06-9
Molecular Formula:
C38H18Cl4F6N2O6S2
Molecular Weight:
918.4917
IUPAC Name:
1-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]disulfanyl]-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzene
InChI:
InChI=1S/C38H18Cl4F6N2O6S2/c39-23-7-1-19(2-8-23)27-15-25(55-31-11-5-21(13-29(31)41)37(43,44)45)17-33(35(27)49(51)52)57-58-34-18-26(56-32-12-6-22(14-30(32)42)38(46,47)48)16-28(36(34)50(53)54)20-3-9-24(40)10-4-20/h1-18H
InChI Key:
GQPGQPBKGFLWEF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cc(cc(c1[N+](=O)[O-])SSc1cc(cc(c1[N+](=O)[O-])c1ccc(cc1)Cl)Oc1ccc(cc1Cl)C(F)(F)F)Oc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
1270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
917.924g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
918.48g/mol
Monoisotopic Mass:
915.926g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3
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