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121465-04-1 | Quinoline, 8-chloro-6-nitro-
CAS No: 121465-04-1 Catalog No: AG00150Z MDL No:MFCD00094192
Product Description
Catalog Number:
AG00150Z
Chemical Name:
Quinoline, 8-chloro-6-nitro-
CAS Number:
121465-04-1
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD00094192
IUPAC Name:
8-chloro-6-nitroquinoline
InChI:
InChI=1S/C9H5ClN2O2/c10-8-5-7(12(13)14)4-6-2-1-3-11-9(6)8/h1-5H
InChI Key:
KOJHKILJCNOEEU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c2c(c1)cccn2
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:
2.5
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