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90966-20-4 | Acetic acid, [2,3-dichloro-4-[(3-hydroxy-2-thienyl)carbonyl]phenoxy]-
CAS No: 90966-20-4 Catalog No: AG006G9P MDL No:
Product Description
Catalog Number:
AG006G9P
Chemical Name:
Acetic acid, [2,3-dichloro-4-[(3-hydroxy-2-thienyl)carbonyl]phenoxy]-
CAS Number:
90966-20-4
Molecular Formula:
C13H8Cl2O5S
Molecular Weight:
347.1706
IUPAC Name:
2-[2,3-dichloro-4-(3-hydroxythiophene-2-carbonyl)phenoxy]acetic acid
InChI:
InChI=1S/C13H8Cl2O5S/c14-10-6(12(19)13-7(16)3-4-21-13)1-2-8(11(10)15)20-5-9(17)18/h1-4,16H,5H2,(H,17,18)
InChI Key:
WXUCKPYCDNHGAO-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1sccc1O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.947g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.162g/mol
Monoisotopic Mass:
345.947g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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