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Home > Indoles and Oxindole > 893738-20-0
893738-20-0 | 5-(4-Tert-butylphenyl)-1H-indole-2,3-dione
CAS No: 893738-20-0 Catalog No: AG01EYP2 MDL No:
Product Description
Catalog Number:
AG01EYP2
Chemical Name:
5-(4-Tert-butylphenyl)-1H-indole-2,3-dione
CAS Number:
893738-20-0
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
5-(4-tert-butylphenyl)-1H-indole-2,3-dione
InChI:
InChI=1S/C18H17NO2/c1-18(2,3)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(20)17(21)19-15/h4-10H,1-3H3,(H,19,20,21)
InChI Key:
IJMMTTYAKBNDHF-UHFFFAOYSA-N
SMILES:
O=C1C(=O)Nc2c1cc(cc2)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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