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266342-76-1 | 2H-Isoindole, 1-[2,4-bis(1-methylethyl)phenyl]-6-bromo-
CAS No: 266342-76-1 Catalog No: AG002TVZ MDL No:
Product Description
Catalog Number:
AG002TVZ
Chemical Name:
2H-Isoindole, 1-[2,4-bis(1-methylethyl)phenyl]-6-bromo-
CAS Number:
266342-76-1
Molecular Formula:
C20H22BrN
Molecular Weight:
356.2994
IUPAC Name:
6-bromo-1-[2,4-di(propan-2-yl)phenyl]-2H-isoindole
InChI:
InChI=1S/C20H22BrN/c1-12(2)14-6-8-17(18(9-14)13(3)4)20-19-10-16(21)7-5-15(19)11-22-20/h5-13,22H,1-4H3
InChI Key:
QYPHWNCBBCOGES-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c([nH]c2)c1ccc(cc1C(C)C)C(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.307g/mol
Monoisotopic Mass:
355.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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