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123418-43-9 | 2-Thiophenecarboxylic acid, 4-chloro-5-methyl-
CAS No: 123418-43-9 Catalog No: AG000KJZ MDL No:
Product Description
Catalog Number:
AG000KJZ
Chemical Name:
2-Thiophenecarboxylic acid, 4-chloro-5-methyl-
CAS Number:
123418-43-9
Molecular Formula:
C6H5ClO2S
Molecular Weight:
176.6207
IUPAC Name:
(4-chloro-5-methylthiophen-2-yl) hydrogen carbonate
InChI:
InChI=1S/C6H5ClO3S/c1-3-4(7)2-5(11-3)10-6(8)9/h2H,1H3,(H,8,9)
InChI Key:
ZJDQCQANELVQQG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(s1)C)Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.613g/mol
Monoisotopic Mass:
191.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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