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89748-20-9 | Phenol, 2,3,6-trichloro-4-ethoxy-
CAS No: 89748-20-9 Catalog No: AG0040N1 MDL No:
Product Description
Catalog Number:
AG0040N1
Chemical Name:
Phenol, 2,3,6-trichloro-4-ethoxy-
CAS Number:
89748-20-9
Molecular Formula:
C8H7Cl3O2
Molecular Weight:
241.4990
IUPAC Name:
2,3,6-trichloro-4-ethoxyphenol
InChI:
InChI=1S/C8H7Cl3O2/c1-2-13-5-3-4(9)8(12)7(11)6(5)10/h3,12H,2H2,1H3
InChI Key:
JPCMEIMAEFTZBB-UHFFFAOYSA-N
SMILES:
CCOc1cc(Cl)c(c(c1Cl)Cl)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.492g/mol
Monoisotopic Mass:
239.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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