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102653-54-3 | Quinoline, 5-chloro-2-methyl-8-nitro-
CAS No: 102653-54-3 Catalog No: AG000816 MDL No:
Product Description
Catalog Number:
AG000816
Chemical Name:
Quinoline, 5-chloro-2-methyl-8-nitro-
CAS Number:
102653-54-3
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
IUPAC Name:
5-chloro-2-methyl-8-nitroquinoline
InChI:
InChI=1S/C10H7ClN2O2/c1-6-2-3-7-8(11)4-5-9(13(14)15)10(7)12-6/h2-5H,1H3
InChI Key:
ZFLLHMUWSVFKDE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(ccc2Cl)[N+](=O)[O-]
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:
2.6
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