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136525-94-5 | Benzene, 1,1'-(2,2,3,3,4,4,5,5-octafluorocyclopentylidene)bis[3,4-dimethyl- (9CI)
CAS No: 136525-94-5 Catalog No: AG0011Y9 MDL No:
Product Description
Catalog Number:
AG0011Y9
Chemical Name:
Benzene, 1,1'-(2,2,3,3,4,4,5,5-octafluorocyclopentylidene)bis[3,4-dimethyl- (9CI)
CAS Number:
136525-94-5
Molecular Formula:
C21H18F8
Molecular Weight:
422.3548
IUPAC Name:
4-[1-(3,4-dimethylphenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentyl]-1,2-dimethylbenzene
InChI:
InChI=1S/C21H18F8/c1-11-5-7-15(9-13(11)3)17(16-8-6-12(2)14(4)10-16)18(22,23)20(26,27)21(28,29)19(17,24)25/h5-10H,1-4H3
InChI Key:
BXJQGPHTTGPOAK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)C1(c2ccc(c(c2)C)C)C(F)(F)C(C(C1(F)F)(F)F)(F)F
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.128g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.362g/mol
Monoisotopic Mass:
422.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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