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Home > Nitro Compounds > 89647-35-8
89647-35-8 | Quinoline, 2-(methylthio)-8-nitro-
CAS No: 89647-35-8 Catalog No: AG003VHG MDL No:
Product Description
Catalog Number:
AG003VHG
Chemical Name:
Quinoline, 2-(methylthio)-8-nitro-
CAS Number:
89647-35-8
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
IUPAC Name:
2-methylsulfanyl-8-nitroquinoline
InChI:
InChI=1S/C10H8N2O2S/c1-15-9-6-5-7-3-2-4-8(12(13)14)10(7)11-9/h2-6H,1H3
InChI Key:
GRCAPSCCEICKKN-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(n1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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