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229343-22-0 | 2-Thiophenecarboxylic acid, 3-chloro-5-methyl-
CAS No: 229343-22-0 Catalog No: AG002LKF MDL No:MFCD08695654
Product Description
Catalog Number:
AG002LKF
Chemical Name:
2-Thiophenecarboxylic acid, 3-chloro-5-methyl-
CAS Number:
229343-22-0
Molecular Formula:
C6H5ClO2S
Molecular Weight:
176.6207
MDL Number:
MFCD08695654
IUPAC Name:
3-chloro-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5ClO2S/c1-3-2-4(7)5(10-3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
BVJIMVUEBVROJS-UHFFFAOYSA-N
SMILES:
Cc1cc(c(s1)C(=O)O)Cl
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
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