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14204-31-0 | 1H-Isoindole-1,3(2H)-dione, 2-[(4-chlorophenyl)thio]-
CAS No: 14204-31-0 Catalog No: AG001HM4 MDL No:
Product Description
Catalog Number:
AG001HM4
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(4-chlorophenyl)thio]-
CAS Number:
14204-31-0
Molecular Formula:
C14H8ClNO2S
Molecular Weight:
289.7368
IUPAC Name:
2-(4-chlorophenyl)sulfanylisoindole-1,3-dione
InChI:
InChI=1S/C14H8ClNO2S/c15-9-5-7-10(8-6-9)19-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
InChI Key:
MHNWGALOHVYLDZ-UHFFFAOYSA-N
SMILES:
O=C1N(Sc2ccc(cc2)Cl)C(=O)c2c1cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.733g/mol
Monoisotopic Mass:
288.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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