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87002-00-4 | 1-[(2,3-dichlorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
CAS No: 87002-00-4 Catalog No: AG004NRO MDL No:
Product Description
Catalog Number:
AG004NRO
Chemical Name:
1-[(2,3-dichlorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
CAS Number:
87002-00-4
Molecular Formula:
C13H5Cl2F5O
Molecular Weight:
343.0762
IUPAC Name:
1-[(2,3-dichlorophenoxy)methyl]-2,3,4,5,6-pentafluorobenzene
InChI:
InChI=1S/C13H5Cl2F5O/c14-6-2-1-3-7(8(6)15)21-4-5-9(16)11(18)13(20)12(19)10(5)17/h1-3H,4H2
InChI Key:
PLUJPMWMMFZWGD-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1Cl)OCc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.964g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.074g/mol
Monoisotopic Mass:
341.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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