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129788-29-0 | Benzoic acid, 2,4-dichloro-3-hydroxy-, ethyl ester
CAS No: 129788-29-0 Catalog No: AG000TPC MDL No:
Product Description
Catalog Number:
AG000TPC
Chemical Name:
Benzoic acid, 2,4-dichloro-3-hydroxy-, ethyl ester
CAS Number:
129788-29-0
Molecular Formula:
C9H8Cl2O3
Molecular Weight:
235.0640
IUPAC Name:
ethyl 2,4-dichloro-3-hydroxybenzoate
InChI:
InChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4,12H,2H2,1H3
InChI Key:
WDRYGTBLAOZBAF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1Cl)O)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.06g/mol
Monoisotopic Mass:
233.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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