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88683-46-9 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-nitrophenyl)thio]-
CAS No: 88683-46-9 Catalog No: AG004795 MDL No:
Product Description
Catalog Number:
AG004795
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-nitrophenyl)thio]-
CAS Number:
88683-46-9
Molecular Formula:
C14H8N2O4S
Molecular Weight:
300.2893
IUPAC Name:
2-(3-nitrophenyl)sulfanylisoindole-1,3-dione
InChI:
InChI=1S/C14H8N2O4S/c17-13-11-6-1-2-7-12(11)14(18)15(13)21-10-5-3-4-9(8-10)16(19)20/h1-8H
InChI Key:
SHLDOMZZOYNSRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)SN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.02g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.288g/mol
Monoisotopic Mass:
300.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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