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1217-67-0 | Acetic acid, 2-[2,3-dichloro-4-(1-oxobutyl)phenoxy]-
CAS No: 1217-67-0 Catalog No: AG0015MG MDL No:
Product Description
Catalog Number:
AG0015MG
Chemical Name:
Acetic acid, 2-[2,3-dichloro-4-(1-oxobutyl)phenoxy]-
CAS Number:
1217-67-0
Molecular Formula:
C12H12Cl2O4
Molecular Weight:
291.1273
IUPAC Name:
2-(4-butanoyl-2,3-dichlorophenoxy)acetic acid
InChI:
InChI=1S/C12H12Cl2O4/c1-2-3-8(15)7-4-5-9(12(14)11(7)13)18-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
InChI Key:
FQAYODYTZPXLRH-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O
EC Number:
601-806-0
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.124g/mol
Monoisotopic Mass:
290.011g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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