Home Halogens 4-bromo-1-chloro-7-fluoroisoquinoline

4-bromo-1-chloro-7-fluoroisoquinoline

CAS No.:
1369199-73-4
Catalog Number:
AG01C55Y
Molecular Formula:
C9H4BrClFN
Molecular Weight:
260.4902
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Product Description
Catalog Number:
AG01C55Y
Chemical Name:
4-bromo-1-chloro-7-fluoroisoquinoline
CAS Number:
1369199-73-4
Molecular Formula:
C9H4BrClFN
Molecular Weight:
260.4902
MDL Number:
MFCD11870524
IUPAC Name:
4-bromo-1-chloro-7-fluoroisoquinoline
InChI:
InChI=1S/C9H4BrClFN/c10-8-4-13-9(11)7-3-5(12)1-2-6(7)8/h1-4H
InChI Key:
QMJDYOOSBFYAQD-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(Cl)ncc2Br
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.92g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.49g/mol
Monoisotopic Mass:
258.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties