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88354-06-7 | 4H-1,3-Benzodioxin-4-one, 2-[(4-chlorophenyl)thio]-2-methyl-
CAS No: 88354-06-7 Catalog No: AG0045AA MDL No:
Product Description
Catalog Number:
AG0045AA
Chemical Name:
4H-1,3-Benzodioxin-4-one, 2-[(4-chlorophenyl)thio]-2-methyl-
CAS Number:
88354-06-7
Molecular Formula:
C15H11ClO3S
Molecular Weight:
306.7640
IUPAC Name:
2-(4-chlorophenyl)sulfanyl-2-methyl-1,3-benzodioxin-4-one
InChI:
InChI=1S/C15H11ClO3S/c1-15(20-11-8-6-10(16)7-9-11)18-13-5-3-2-4-12(13)14(17)19-15/h2-9H,1H3
InChI Key:
JNJQDEGUZAIRPX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SC1(C)OC(=O)c2c(O1)cccc2
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.76g/mol
Monoisotopic Mass:
306.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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