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Home > Indoles and Oxindole > 893736-15-7
893736-15-7 | 5-(4-Tert-butylphenyl)indoline
CAS No: 893736-15-7 Catalog No: AG01EYMG MDL No:
Product Description
Catalog Number:
AG01EYMG
Chemical Name:
5-(4-Tert-butylphenyl)indoline
CAS Number:
893736-15-7
Molecular Formula:
C18H21N
Molecular Weight:
251.3660
IUPAC Name:
5-(4-tert-butylphenyl)-2,3-dihydro-1H-indole
InChI:
InChI=1S/C18H21N/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-19-17/h4-9,12,19H,10-11H2,1-3H3
InChI Key:
HXCIOIZIWJBUDM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1ccc2c(c1)CCN2)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.373g/mol
Monoisotopic Mass:
251.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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