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139122-17-1 | 2H-Indol-2-one, 4-[2-(benzoyloxy)ethyl]-3-chloro-1,3-dihydro-
CAS No: 139122-17-1 Catalog No: AG001ABM MDL No:
Product Description
Catalog Number:
AG001ABM
Chemical Name:
2H-Indol-2-one, 4-[2-(benzoyloxy)ethyl]-3-chloro-1,3-dihydro-
CAS Number:
139122-17-1
Molecular Formula:
C17H14ClNO3
Molecular Weight:
315.7510
IUPAC Name:
2-(3-chloro-2-oxo-1,3-dihydroindol-4-yl)ethyl benzoate
InChI:
InChI=1S/C17H14ClNO3/c18-15-14-11(7-4-8-13(14)19-16(15)20)9-10-22-17(21)12-5-2-1-3-6-12/h1-8,15H,9-10H2,(H,19,20)
InChI Key:
QXZUSCSOBQPDPX-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1Cl)c(CCOC(=O)c1ccccc1)ccc2
EC Number:
470-710-7
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.753g/mol
Monoisotopic Mass:
315.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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