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13951-60-5 | Benzenesulfonyl chloride, 4-(1-oxo-3-phenyl-1H-inden-2-yl)-
CAS No: 13951-60-5 Catalog No: AG001B6D MDL No:
Product Description
Catalog Number:
AG001B6D
Chemical Name:
Benzenesulfonyl chloride, 4-(1-oxo-3-phenyl-1H-inden-2-yl)-
CAS Number:
13951-60-5
Molecular Formula:
C21H13ClO3S
Molecular Weight:
380.8441
IUPAC Name:
4-(1-oxo-3-phenylinden-2-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C21H13ClO3S/c22-26(24,25)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)21(20)23/h1-13H
InChI Key:
UZFAWOJOSLAPRI-UHFFFAOYSA-N
SMILES:
O=C1C(=C(c2c1cccc2)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.027g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.842g/mol
Monoisotopic Mass:
380.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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