Home Halogens 3-chloro-6-fluoro-5-nitroisoquinoline

3-chloro-6-fluoro-5-nitroisoquinoline

CAS No.:
1841079-94-4
Catalog Number:
AG01ELH2
Molecular Formula:
C9H4ClFN2O2
Molecular Weight:
226.5917
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Product Description
Catalog Number:
AG01ELH2
Chemical Name:
3-chloro-6-fluoro-5-nitroisoquinoline
CAS Number:
1841079-94-4
Molecular Formula:
C9H4ClFN2O2
Molecular Weight:
226.5917
MDL Number:
MFCD31556546
IUPAC Name:
3-chloro-6-fluoro-5-nitroisoquinoline
InChI:
InChI=1S/C9H4ClFN2O2/c10-8-3-6-5(4-12-8)1-2-7(11)9(6)13(14)15/h1-4H
InChI Key:
UVLNEBQKDGWLOX-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)c([N+](=O)[O-])c(cc2)F
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.995g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.591g/mol
Monoisotopic Mass:
225.995g/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