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58794-09-5 | 7-Bromoisoquinoline
CAS No: 58794-09-5 Catalog No: AG0034E2 MDL No:MFCD07368661
Product Description
Catalog Number:
AG0034E2
Chemical Name:
7-Bromoisoquinoline
CAS Number:
58794-09-5
Molecular Formula:
C9H6BrN
Molecular Weight:
208.0546
MDL Number:
MFCD07368661
IUPAC Name:
7-bromoisoquinoline
InChI:
InChI=1S/C9H6BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
InChI Key:
KABRXLINDSPGDF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cncc2
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:
2.9
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