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CHEMHERE CHEM133032

CAS No.:
1416500-78-1
Catalog Number:
AG01DW11
Molecular Formula:
C9H5BrFN
Molecular Weight:
226.0451
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Product Description
Catalog Number:
AG01DW11
Chemical Name:
CHEMHERE CHEM133032
CAS Number:
1416500-78-1
Molecular Formula:
C9H5BrFN
Molecular Weight:
226.0451
MDL Number:
MFCD28661296
IUPAC Name:
4-bromo-6-fluoroisoquinoline
InChI:
InChI=1S/C9H5BrFN/c10-9-5-12-4-6-1-2-7(11)3-8(6)9/h1-5H
InChI Key:
IXLPAFQCBBGXBG-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(Br)cnc2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.959g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.048g/mol
Monoisotopic Mass:
224.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties