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86984-28-3 | 6-CHLORO-7-METHYL-5-NITROQUINOLINE
CAS No: 86984-28-3 Catalog No: AG004NX7 MDL No:
Product Description
Catalog Number:
AG004NX7
Chemical Name:
6-CHLORO-7-METHYL-5-NITROQUINOLINE
CAS Number:
86984-28-3
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
IUPAC Name:
6-chloro-7-methyl-5-nitroquinoline
InChI:
InChI=1S/C10H7ClN2O2/c1-6-5-8-7(3-2-4-12-8)10(9(6)11)13(14)15/h2-5H,1H3
InChI Key:
ZSJQUKKPQKEEPP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)c(C)cc2c1cccn2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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