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103905-85-7 | 2-(3,4-Dichloro-phenoxy)-2-methyl-propionic acid
CAS No: 103905-85-7 Catalog No: AG01F9EZ MDL No:
Product Description
Catalog Number:
AG01F9EZ
Chemical Name:
2-(3,4-Dichloro-phenoxy)-2-methyl-propionic acid
CAS Number:
103905-85-7
Molecular Formula:
C10H10Cl2O3
Molecular Weight:
249.0906
IUPAC Name:
2-(3,4-dichlorophenoxy)-2-methylpropanoic acid
InChI:
InChI=1S/C10H10Cl2O3/c1-10(2,9(13)14)15-6-3-4-7(11)8(12)5-6/h3-5H,1-2H3,(H,13,14)
InChI Key:
LHWRDBRLKJLJQH-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(c(c1)Cl)Cl)(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.087g/mol
Monoisotopic Mass:
248.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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