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130562-95-7 | 3-Thiophenecarboxylic acid, 2,5-dichloro-, ethyl ester
CAS No: 130562-95-7 Catalog No: AG000UM7 MDL No:
Product Description
Catalog Number:
AG000UM7
Chemical Name:
3-Thiophenecarboxylic acid, 2,5-dichloro-, ethyl ester
CAS Number:
130562-95-7
Molecular Formula:
C7H6Cl2O2S
Molecular Weight:
225.0923
IUPAC Name:
ethyl 2,5-dichlorothiophene-3-carboxylate
InChI:
InChI=1S/C7H6Cl2O2S/c1-2-11-7(10)4-3-5(8)12-6(4)9/h3H,2H2,1H3
InChI Key:
NWRLHZNWNIDWFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(sc1Cl)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.083g/mol
Monoisotopic Mass:
223.947g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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