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113603-97-7 | 1H-Isoindole-1,3(2H)-dione, 2-(2-chlorobenzoyl)-
CAS No: 113603-97-7 Catalog No: AG00093R MDL No:
Product Description
Catalog Number:
AG00093R
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-chlorobenzoyl)-
CAS Number:
113603-97-7
Molecular Formula:
C15H8ClNO3
Molecular Weight:
285.6819
IUPAC Name:
2-(2-chlorobenzoyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H8ClNO3/c16-12-8-4-3-7-11(12)15(20)17-13(18)9-5-1-2-6-10(9)14(17)19/h1-8H
InChI Key:
JSKCFBMKJIGMFM-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C(=O)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.683g/mol
Monoisotopic Mass:
285.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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