Isoquinoline, 1,3-dibromo-


Chemical Name: Isoquinoline, 1,3-dibromo-
CAS Number: 53987-60-3
Product Number: AG00DGDA(AGN-PC-0JU7K7)
Synonyms:
MDL No:
Molecular Formula: C9H5Br2N
Molecular Weight: 286.9507

Identification/Properties


Computed Properties
Molecular Weight:
286.954g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
286.877g/mol
Monoisotopic Mass:
284.879g/mol
Topological Polar Surface Area:
12.9A^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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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