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87002-05-9 | 1,2,3,4,5-pentafluoro-6-[(2,3,5-trichlorophenoxy)methyl]benzene
CAS No: 87002-05-9 Catalog No: AG004GUB MDL No:
Product Description
Catalog Number:
AG004GUB
Chemical Name:
1,2,3,4,5-pentafluoro-6-[(2,3,5-trichlorophenoxy)methyl]benzene
CAS Number:
87002-05-9
Molecular Formula:
C13H4Cl3F5O
Molecular Weight:
377.5213
IUPAC Name:
1,2,3,4,5-pentafluoro-6-[(2,3,5-trichlorophenoxy)methyl]benzene
InChI:
InChI=1S/C13H4Cl3F5O/c14-4-1-6(15)8(16)7(2-4)22-3-5-9(17)11(19)13(21)12(20)10(5)18/h1-2H,3H2
InChI Key:
PNCWRXHBYOYTRV-UHFFFAOYSA-N
SMILES:
Clc1cc(OCc2c(F)c(F)c(c(c2F)F)F)c(c(c1)Cl)Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.925g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.516g/mol
Monoisotopic Mass:
375.925g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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