Home Halogens 5-(3-chlorophenyl)-4-methylthiophene-2-carboxylic acid

5-(3-chlorophenyl)-4-methylthiophene-2-carboxylic acid

CAS No.:
1039859-49-8
Catalog Number:
AG01A9H4
Molecular Formula:
C12H9ClO2S
Molecular Weight:
252.7167
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Product Description
Catalog Number:
AG01A9H4
Chemical Name:
5-(3-chlorophenyl)-4-methylthiophene-2-carboxylic acid
CAS Number:
1039859-49-8
Molecular Formula:
C12H9ClO2S
Molecular Weight:
252.7167
MDL Number:
MFCD11189723
IUPAC Name:
5-(3-chlorophenyl)-4-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C12H9ClO2S/c1-7-5-10(12(14)15)16-11(7)8-3-2-4-9(13)6-8/h2-6H,1H3,(H,14,15)
InChI Key:
JQDXTMXFHHOYRH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1sc(cc1C)C(=O)O
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.001g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.712g/mol
Monoisotopic Mass:
252.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties