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Home > Bromides > 1251402-01-3
1251402-01-3 | 1(2H)-Isoquinolinone, 6-bromo-2-(2-phenylpropyl)-
CAS No: 1251402-01-3 Catalog No: AG000N8B MDL No:
Product Description
Catalog Number:
AG000N8B
Chemical Name:
1(2H)-Isoquinolinone, 6-bromo-2-(2-phenylpropyl)-
CAS Number:
1251402-01-3
Molecular Formula:
C18H16BrNO
Molecular Weight:
342.2297
IUPAC Name:
6-bromo-2-(2-phenylpropyl)isoquinolin-1-one
InChI:
InChI=1S/C18H16BrNO/c1-13(14-5-3-2-4-6-14)12-20-10-9-15-11-16(19)7-8-17(15)18(20)21/h2-11,13H,12H2,1H3
InChI Key:
ZEYWHPIEEHTHGW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccn(c2=O)CC(c1ccccc1)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.042g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.236g/mol
Monoisotopic Mass:
341.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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