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13675-94-0 | Quinoline, 4-chloro-6-nitro-
CAS No: 13675-94-0 Catalog No: AG0012AR MDL No:MFCD00498990
Product Description
Catalog Number:
AG0012AR
Chemical Name:
Quinoline, 4-chloro-6-nitro-
CAS Number:
13675-94-0
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD00498990
IUPAC Name:
4-chloro-6-nitroquinoline
InChI:
InChI=1S/C9H5ClN2O2/c10-8-3-4-11-9-2-1-6(12(13)14)5-7(8)9/h1-5H
InChI Key:
FLKFKUSJAFUYDU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(Cl)ccn2
NSC Number:
146766
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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