Home Halogens 4-chloro-3,6-dinitroquinoline

4-chloro-3,6-dinitroquinoline

CAS No.:
39487-90-6
Catalog Number:
AG01A5D5
Molecular Formula:
C9H4ClN3O4
Molecular Weight:
253.5988
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Product Description
Catalog Number:
AG01A5D5
Chemical Name:
4-chloro-3,6-dinitroquinoline
CAS Number:
39487-90-6
Molecular Formula:
C9H4ClN3O4
Molecular Weight:
253.5988
MDL Number:
MFCD24369279
IUPAC Name:
4-chloro-3,6-dinitroquinoline
InChI:
InChI=1S/C9H4ClN3O4/c10-9-6-3-5(12(14)15)1-2-7(6)11-4-8(9)13(16)17/h1-4H
InChI Key:
FINUNTLDSIYMAY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(Cl)c(cn2)[N+](=O)[O-]
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.989g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.598g/mol
Monoisotopic Mass:
252.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties