Home Halogens 2-chloro-4-methylthiophene-3-carboxylic acid

2-chloro-4-methylthiophene-3-carboxylic acid

CAS No.:
85345-22-8
Catalog Number:
AG01A4KP
Molecular Formula:
C6H5ClO2S
Molecular Weight:
176.6207
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Product Description
Catalog Number:
AG01A4KP
Chemical Name:
2-chloro-4-methylthiophene-3-carboxylic acid
CAS Number:
85345-22-8
Molecular Formula:
C6H5ClO2S
Molecular Weight:
176.6207
MDL Number:
MFCD20658128
IUPAC Name:
2-chloro-4-methylthiophene-3-carboxylic acid
InChI:
InChI=1S/C6H5ClO2S/c1-3-2-10-5(7)4(3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
IOWVLJHLAVCWDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)scc1C
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.97g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.614g/mol
Monoisotopic Mass:
175.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties