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Home > Indoles and Oxindole > 113439-98-8
113439-98-8 | 1H-Isoindole, 2-(3,5-dimethylphenyl)-2,3-dihydro-
CAS No: 113439-98-8 Catalog No: AG0008LD MDL No:MFCD00100086
Product Description
Catalog Number:
AG0008LD
Chemical Name:
1H-Isoindole, 2-(3,5-dimethylphenyl)-2,3-dihydro-
CAS Number:
113439-98-8
Molecular Formula:
C16H17N
Molecular Weight:
223.3129
MDL Number:
MFCD00100086
IUPAC Name:
2-(3,5-dimethylphenyl)-1,3-dihydroisoindole
InChI:
InChI=1S/C16H17N/c1-12-7-13(2)9-16(8-12)17-10-14-5-3-4-6-15(14)11-17/h3-9H,10-11H2,1-2H3
InChI Key:
XQMDUXLERZQIOA-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)N1Cc2c(C1)cccc2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.319g/mol
Monoisotopic Mass:
223.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 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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