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1532-71-4 | 1-Bromoisoquinoline
CAS No: 1532-71-4 Catalog No: AG0032Q7 MDL No:MFCD00234478
Product Description
Catalog Number:
AG0032Q7
Chemical Name:
1-Bromoisoquinoline
CAS Number:
1532-71-4
Molecular Formula:
C9H6BrN
Molecular Weight:
208.0546
MDL Number:
MFCD00234478
IUPAC Name:
1-bromoisoquinoline
InChI:
InChI=1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChI Key:
YWWZASFPWWPUBN-UHFFFAOYSA-N
SMILES:
Brc1nccc2c1cccc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.058g/mol
Monoisotopic Mass:
206.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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