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89284-70-8 | 2-Thiophenecarboxylicacid, 5-(chlorocarbonyl)-
CAS No: 89284-70-8 Catalog No: AG00414U MDL No:
Product Description
Catalog Number:
AG00414U
Chemical Name:
2-Thiophenecarboxylicacid, 5-(chlorocarbonyl)-
CAS Number:
89284-70-8
Molecular Formula:
C6H3ClO3S
Molecular Weight:
190.6042
IUPAC Name:
5-carbonochloridoylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H3ClO3S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,9,10)
InChI Key:
YYOMGCWUCSHZEJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)C(=O)Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.597g/mol
Monoisotopic Mass:
189.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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