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86984-32-9 | 6-Chloro-5-nitroquinoline
CAS No: 86984-32-9 Catalog No: AG004HDS MDL No:MFCD00093616
Product Description
Catalog Number:
AG004HDS
Chemical Name:
6-Chloro-5-nitroquinoline
CAS Number:
86984-32-9
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD00093616
IUPAC Name:
6-chloro-5-nitroquinoline
InChI:
InChI=1S/C9H5ClN2O2/c10-7-3-4-8-6(2-1-5-11-8)9(7)12(13)14/h1-5H
InChI Key:
GIMHFTJFCRTQRS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)ccc2c1cccn2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.601g/mol
Monoisotopic Mass:
208.004g/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
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