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59337-89-2

59337-89-2 | 3-Chlorothiophene-2-carboxylic acid

CAS No: 59337-89-2 Catalog No: AG0038M2 MDL No:MFCD00043888

Product Description

Catalog Number:
AG0038M2
Chemical Name:
3-Chlorothiophene-2-carboxylic acid
CAS Number:
59337-89-2
Molecular Formula:
C5H3ClO2S
Molecular Weight:
162.5941
MDL Number:
MFCD00043888
IUPAC Name:
3-chlorothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H3ClO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChI Key:
BXEAAHIHFFIMIE-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1Cl

Properties

Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.954g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.587g/mol
Monoisotopic Mass:
161.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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