Home Halogens 1-bromo-4-nitroisoquinoline

1-bromo-4-nitroisoquinoline

CAS No.:
55404-30-3
Catalog Number:
AG01BHX6
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
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Product Description
Catalog Number:
AG01BHX6
Chemical Name:
1-bromo-4-nitroisoquinoline
CAS Number:
55404-30-3
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD00834981
IUPAC Name:
1-bromo-4-nitroisoquinoline
InChI:
InChI=1S/C9H5BrN2O2/c10-9-7-4-2-1-3-6(7)8(5-11-9)12(13)14/h1-5H
InChI Key:
OEMTZSXDAOJOFV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(c2c1cccc2)Br
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.055g/mol
Monoisotopic Mass:
251.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties