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89311-73-9 | Benzoic acid, 4-ethenyl-, 4-[(butylamino)sulfonyl]phenyl ester
CAS No: 89311-73-9 Catalog No: AG003YME MDL No:
Product Description
Catalog Number:
AG003YME
Chemical Name:
Benzoic acid, 4-ethenyl-, 4-[(butylamino)sulfonyl]phenyl ester
CAS Number:
89311-73-9
Molecular Formula:
C19H21NO4S
Molecular Weight:
359.4393
IUPAC Name:
[4-(butylsulfamoyl)phenyl] 4-ethenylbenzoate
InChI:
InChI=1S/C19H21NO4S/c1-3-5-14-20-25(22,23)18-12-10-17(11-13-18)24-19(21)16-8-6-15(4-2)7-9-16/h4,6-13,20H,2-3,5,14H2,1H3
InChI Key:
HWXSVRYJDQHBRD-UHFFFAOYSA-N
SMILES:
CCCCNS(=O)(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)C=C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.44g/mol
Monoisotopic Mass:
359.119g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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