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113440-30-5 | 2H-Isoindole, 2-(2,3-dimethylphenyl)-
CAS No: 113440-30-5 Catalog No: AG0008LC MDL No:
Product Description
Catalog Number:
AG0008LC
Chemical Name:
2H-Isoindole, 2-(2,3-dimethylphenyl)-
CAS Number:
113440-30-5
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
IUPAC Name:
2-(2,3-dimethylphenyl)isoindole
InChI:
InChI=1S/C16H15N/c1-12-6-5-9-16(13(12)2)17-10-14-7-3-4-8-15(14)11-17/h3-11H,1-2H3
InChI Key:
LRRRKIVCOZJYBJ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C)n1cc2c(c1)cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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