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Home > Bromides > 1187163-16-1
1187163-16-1 | 4-(4-Bromo-2-fluorophenyl)isoquinoline
CAS No: 1187163-16-1 Catalog No: AG01FCJD MDL No:
Product Description
Catalog Number:
AG01FCJD
Chemical Name:
4-(4-Bromo-2-fluorophenyl)isoquinoline
CAS Number:
1187163-16-1
Molecular Formula:
C15H9BrFN
Molecular Weight:
302.1411
IUPAC Name:
4-(4-bromo-2-fluorophenyl)isoquinoline
InChI:
InChI=1S/C15H9BrFN/c16-11-5-6-13(15(17)7-11)14-9-18-8-10-3-1-2-4-12(10)14/h1-9H
InChI Key:
PNLWGQXNLLSZQA-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)F)c1cncc2c1cccc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.99g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.146g/mol
Monoisotopic Mass:
300.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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