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Home > Indoles and Oxindole > 4778-82-9
4778-82-9 | 2-(4-methoxyphenyl)-1-isoindolinone
CAS No: 4778-82-9 Catalog No: AG00JJMN MDL No:MFCD00226200
Product Description
Catalog Number:
AG00JJMN
Chemical Name:
2-(4-methoxyphenyl)-1-isoindolinone
CAS Number:
4778-82-9
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
MDL Number:
MFCD00226200
IUPAC Name:
2-(4-methoxyphenyl)-3H-isoindol-1-one
InChI:
InChI=1S/C15H13NO2/c1-18-13-8-6-12(7-9-13)16-10-11-4-2-3-5-14(11)15(16)17/h2-9H,10H2,1H3
InChI Key:
XZCRJQBSQFTGQO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1Cc2c(C1=O)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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