Home Halogens 1,3-dichloro-5-nitroisoquinoline

1,3-dichloro-5-nitroisoquinoline

CAS No.:
18203-64-0
Catalog Number:
AG01DHFH
Molecular Formula:
C9H4Cl2N2O2
Molecular Weight:
243.0463
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Product Description
Catalog Number:
AG01DHFH
Chemical Name:
1,3-dichloro-5-nitroisoquinoline
CAS Number:
18203-64-0
Molecular Formula:
C9H4Cl2N2O2
Molecular Weight:
243.0463
MDL Number:
MFCD22371594
IUPAC Name:
1,3-dichloro-5-nitroisoquinoline
InChI:
InChI=1S/C9H4Cl2N2O2/c10-8-4-6-5(9(11)12-8)2-1-3-7(6)13(14)15/h1-4H
InChI Key:
RCRDYTXSRVCIHW-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(c1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.965g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.043g/mol
Monoisotopic Mass:
241.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties