Home Halogens Isoquinoline, 4-bromo-8-nitro-

Isoquinoline, 4-bromo-8-nitro-

CAS No.:
677702-62-4
Catalog Number:
AG00IBR4
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
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Product Description
Catalog Number:
AG00IBR4
Chemical Name:
Isoquinoline, 4-bromo-8-nitro-
CAS Number:
677702-62-4
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD28405562
IUPAC Name:
4-bromo-8-nitroisoquinoline
InChI:
InChI=1S/C9H5BrN2O2/c10-8-5-11-4-7-6(8)2-1-3-9(7)12(13)14/h1-5H
InChI Key:
KPCPLMDZUBRAKV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1cncc2Br
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:
2.6  
Properties