5-Isoquinolinamine, 4-bromo-


Chemical Name: 5-Isoquinolinamine, 4-bromo-
CAS Number: 16552-65-1
Product Number: AG001W75(AGN-PC-001VT9)
Synonyms:
MDL No:
Molecular Formula: C9H7BrN2
Molecular Weight: 223.0693

Identification/Properties


Computed Properties
Molecular Weight:
223.073g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
221.979g/mol
Monoisotopic Mass:
221.979g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
163
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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