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130667-23-1 | 3H-2,1-Benzoxathiole, 3-[1,1'-biphenyl]-4-yl-3-chloro-, 1,1-dioxide
CAS No: 130667-23-1 Catalog No: AG000US1 MDL No:
Product Description
Catalog Number:
AG000US1
Chemical Name:
3H-2,1-Benzoxathiole, 3-[1,1'-biphenyl]-4-yl-3-chloro-, 1,1-dioxide
CAS Number:
130667-23-1
Molecular Formula:
C19H13ClO3S
Molecular Weight:
356.8227
IUPAC Name:
3-chloro-3-(4-phenylphenyl)-2,1λ6-benzoxathiole 1,1-dioxide
InChI:
InChI=1S/C19H13ClO3S/c20-19(17-8-4-5-9-18(17)24(21,22)23-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChI Key:
YPTCLFNJVOIKIE-UHFFFAOYSA-N
SMILES:
ClC1(OS(=O)(=O)c2c1cccc2)c1ccc(cc1)c1ccccc1
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.027g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.82g/mol
Monoisotopic Mass:
356.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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