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100487-66-9 | 2H-Indol-2-one, 5-chloro-3-(2-furanylcarbonyl)-1,3-dihydro-
CAS No: 100487-66-9 Catalog No: AG00023H MDL No:
Product Description
Catalog Number:
AG00023H
Chemical Name:
2H-Indol-2-one, 5-chloro-3-(2-furanylcarbonyl)-1,3-dihydro-
CAS Number:
100487-66-9
Molecular Formula:
C13H8ClNO3
Molecular Weight:
261.6605
IUPAC Name:
5-chloro-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one
InChI:
InChI=1S/C13H8ClNO3/c14-7-3-4-9-8(6-7)11(13(17)15-9)12(16)10-2-1-5-18-10/h1-6,11H,(H,15,17)
InChI Key:
YYIOUZPRQFGRGG-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(C(=O)N2)C(=O)c1ccco1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.661g/mol
Monoisotopic Mass:
261.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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