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130536-25-3 | Benzenesulfonic acid, 4-chloro-, 4-oxo-2-phenyl-3(4H)-quinazolinyl ester
CAS No: 130536-25-3 Catalog No: AG000ULU MDL No:
Product Description
Catalog Number:
AG000ULU
Chemical Name:
Benzenesulfonic acid, 4-chloro-, 4-oxo-2-phenyl-3(4H)-quinazolinyl ester
CAS Number:
130536-25-3
Molecular Formula:
C20H13ClN2O4S
Molecular Weight:
412.8462
IUPAC Name:
(4-oxo-2-phenylquinazolin-3-yl) 4-chlorobenzenesulfonate
InChI:
InChI=1S/C20H13ClN2O4S/c21-15-10-12-16(13-11-15)28(25,26)27-23-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)20(23)24/h1-13H
InChI Key:
IYPQFASCNAXQLV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)On1c(nc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.028g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.844g/mol
Monoisotopic Mass:
412.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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