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14753-82-3 | Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[5-chloro-2-methoxy-
CAS No: 14753-82-3 Catalog No: AG001EYJ MDL No:
Product Description
Catalog Number:
AG001EYJ
Chemical Name:
Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[5-chloro-2-methoxy-
CAS Number:
14753-82-3
Molecular Formula:
C16H13Cl5O2
Molecular Weight:
414.5382
IUPAC Name:
4-chloro-1-methoxy-2-[2,2,2-trichloro-1-(5-chloro-2-methoxyphenyl)ethyl]benzene
InChI:
InChI=1S/C16H13Cl5O2/c1-22-13-5-3-9(17)7-11(13)15(16(19,20)21)12-8-10(18)4-6-14(12)23-2/h3-8,15H,1-2H3
InChI Key:
GFLYINLASNCPPN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(C(Cl)(Cl)Cl)c1cc(Cl)ccc1OC)Cl
NSC Number:
50511
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.933g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.528g/mol
Monoisotopic Mass:
411.936g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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