200,000+ products from a single source!
sales@angenechem.com
88460-56-4 | 1H-Isoindole-1-acetic acid, 2-(5-chloro-2-pyridinyl)-2,3-dihydro-3-oxo-
CAS No: 88460-56-4 Catalog No: AG004F9H MDL No:
Product Description
Catalog Number:
AG004F9H
Chemical Name:
1H-Isoindole-1-acetic acid, 2-(5-chloro-2-pyridinyl)-2,3-dihydro-3-oxo-
CAS Number:
88460-56-4
Molecular Formula:
C15H11ClN2O3
Molecular Weight:
302.7124
IUPAC Name:
2-[2-(5-chloropyridin-2-yl)-3-oxo-1H-isoindol-1-yl]acetic acid
InChI:
InChI=1S/C15H11ClN2O3/c16-9-5-6-13(17-8-9)18-12(7-14(19)20)10-3-1-2-4-11(10)15(18)21/h1-6,8,12H,7H2,(H,19,20)
InChI Key:
VDCDACYQBOGTAR-UHFFFAOYSA-N
SMILES:
Clc1ccc(nc1)N1C(CC(=O)O)c2c(C1=O)cccc2
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.714g/mol
Monoisotopic Mass:
302.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.