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306936-31-2 | 1H-Pyrrole-3-carboxylic acid, 5-(4-chlorophenyl)-4-(chlorosulfonyl)-2-methyl-1-phenyl-, ethyl ester
CAS No: 306936-31-2 Catalog No: AG0030XX MDL No:
Product Description
Catalog Number:
AG0030XX
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 5-(4-chlorophenyl)-4-(chlorosulfonyl)-2-methyl-1-phenyl-, ethyl ester
CAS Number:
306936-31-2
Molecular Formula:
C20H17Cl2NO4S
Molecular Weight:
438.3243
IUPAC Name:
ethyl 5-(4-chlorophenyl)-4-chlorosulfonyl-2-methyl-1-phenylpyrrole-3-carboxylate
InChI:
InChI=1S/C20H17Cl2NO4S/c1-3-27-20(24)17-13(2)23(16-7-5-4-6-8-16)18(19(17)28(22,25)26)14-9-11-15(21)12-10-14/h4-12H,3H2,1-2H3
InChI Key:
OBFKKROZJHDFHA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)n(c(c1S(=O)(=O)Cl)c1ccc(cc1)Cl)c1ccccc1
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.026g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.319g/mol
Monoisotopic Mass:
437.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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