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10216-12-3 | 2-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-
CAS No: 10216-12-3 Catalog No: AG0006S6 MDL No:MFCD10485859
Product Description
Catalog Number:
AG0006S6
Chemical Name:
2-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-
CAS Number:
10216-12-3
Molecular Formula:
C5H3ClO4S2
Molecular Weight:
226.6579
MDL Number:
MFCD10485859
IUPAC Name:
5-chlorosulfonylthiophene-2-carboxylic acid
InChI:
InChI=1S/C5H3ClO4S2/c6-12(9,10)4-2-1-3(11-4)5(7)8/h1-2H,(H,7,8)
InChI Key:
FWVXNSQOBHTXGV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)S(=O)(=O)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.916g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.645g/mol
Monoisotopic Mass:
225.916g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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