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88441-16-1 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-
CAS No: 88441-16-1 Catalog No: AG004ENA MDL No:
Product Description
Catalog Number:
AG004ENA
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-
CAS Number:
88441-16-1
Molecular Formula:
C18H16ClNO4
Molecular Weight:
345.7769
IUPAC Name:
2-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C18H16ClNO4/c1-23-15-10-14(19)16(24-2)9-11(15)7-8-20-17(21)12-5-3-4-6-13(12)18(20)22/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
CTEUVMABFCVHRY-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(cc1CCN1C(=O)c2c(C1=O)cccc2)OC
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.077g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.779g/mol
Monoisotopic Mass:
345.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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