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113387-58-9 | 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-5-phenyl-, methyl ester
CAS No: 113387-58-9 Catalog No: AG0008DP MDL No:MFCD18838691
Product Description
Catalog Number:
AG0008DP
Chemical Name:
2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-5-phenyl-, methyl ester
CAS Number:
113387-58-9
Molecular Formula:
C12H9ClO4S2
Molecular Weight:
316.7805
MDL Number:
MFCD18838691
IUPAC Name:
methyl 3-chlorosulfonyl-5-phenylthiophene-2-carboxylate
InChI:
InChI=1S/C12H9ClO4S2/c1-17-12(14)11-10(19(13,15)16)7-9(18-11)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
PVEJBOPTYAPXOM-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1S(=O)(=O)Cl)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.963g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.77g/mol
Monoisotopic Mass:
315.963g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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