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36157-41-2 | 2,5-Dichlorothiophene-3-carboxylic acid
CAS No: 36157-41-2 Catalog No: AG003FXV MDL No:MFCD00082908
Product Description
Catalog Number:
AG003FXV
Chemical Name:
2,5-Dichlorothiophene-3-carboxylic acid
CAS Number:
36157-41-2
Molecular Formula:
C5H2Cl2O2S
Molecular Weight:
197.0392
MDL Number:
MFCD00082908
IUPAC Name:
2,5-dichlorothiophene-3-carboxylic acid
InChI:
InChI=1S/C5H2Cl2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9)
InChI Key:
FBUUZRITKBLZJX-UHFFFAOYSA-N
SMILES:
Clc1sc(c(c1)C(=O)O)Cl
NSC Number:
14775
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.915g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.029g/mol
Monoisotopic Mass:
195.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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