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158439-31-7 | 2,5-Thiophenedicarboxylic acid, 3-(chlorosulfonyl)-, 2,5-dimethyl ester
CAS No: 158439-31-7 Catalog No: AG001Q6T MDL No:MFCD08694614
Product Description
Catalog Number:
AG001Q6T
Chemical Name:
2,5-Thiophenedicarboxylic acid, 3-(chlorosulfonyl)-, 2,5-dimethyl ester
CAS Number:
158439-31-7
Molecular Formula:
C8H7ClO6S2
Molecular Weight:
298.7206
MDL Number:
MFCD08694614
IUPAC Name:
methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate
InChI:
InChI=1S/C6H4Cl2O4S2/c1-12-6(9)5-3(14(8,10)11)2-4(7)13-5/h2H,1H3
InChI Key:
GDKPWFMFFKPATJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1)S(=O)(=O)Cl)C(=O)OC
EC Number:
603-173-6
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.893g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.114g/mol
Monoisotopic Mass:
273.893g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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