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88460-54-2 | 1H-Isoindole-1-acetic acid, 2-(4-chlorophenyl)-2,3-dihydro-3-oxo-
CAS No: 88460-54-2 Catalog No: AG004DWT MDL No:
Product Description
Catalog Number:
AG004DWT
Chemical Name:
1H-Isoindole-1-acetic acid, 2-(4-chlorophenyl)-2,3-dihydro-3-oxo-
CAS Number:
88460-54-2
Molecular Formula:
C16H12ClNO3
Molecular Weight:
301.7244
IUPAC Name:
2-[2-(4-chlorophenyl)-3-oxo-1H-isoindol-1-yl]acetic acid
InChI:
InChI=1S/C16H12ClNO3/c17-10-5-7-11(8-6-10)18-14(9-15(19)20)12-3-1-2-4-13(12)16(18)21/h1-8,14H,9H2,(H,19,20)
InChI Key:
AWOYTAGQTMYDSR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N1C(CC(=O)O)c2c(C1=O)cccc2
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.726g/mol
Monoisotopic Mass:
301.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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