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85430-21-3 | Phenol, 3,4,5-trichloro-2-methoxy-, acetate
CAS No: 85430-21-3 Catalog No: AG004NNU MDL No:
Product Description
Catalog Number:
AG004NNU
Chemical Name:
Phenol, 3,4,5-trichloro-2-methoxy-, acetate
CAS Number:
85430-21-3
Molecular Formula:
C9H9Cl3O4
Molecular Weight:
287.5244
IUPAC Name:
(3,4,5-trichloro-2-methoxyphenyl) acetate
InChI:
InChI=1S/C9H7Cl3O3/c1-4(13)15-6-3-5(10)7(11)8(12)9(6)14-2/h3H,1-2H3
InChI Key:
LQAOAEFNWDLHIO-UHFFFAOYSA-N
SMILES:
CC(=O)O.COc1c(O)cc(c(c1Cl)Cl)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.502g/mol
Monoisotopic Mass:
267.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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