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Home > Nitro Compounds > 1803591-48-1
1803591-48-1 | 5-(methylsulfanyl)-8-nitroquinoline
CAS No: 1803591-48-1 Catalog No: AG01AC0I MDL No:MFCD26935987
Product Description
Catalog Number:
AG01AC0I
Chemical Name:
5-(methylsulfanyl)-8-nitroquinoline
CAS Number:
1803591-48-1
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD26935987
IUPAC Name:
5-methylsulfanyl-8-nitroquinoline
InChI:
InChI=1S/C10H8N2O2S/c1-15-9-5-4-8(12(13)14)10-7(9)3-2-6-11-10/h2-6H,1H3
InChI Key:
OHSLLHBIYNKTEG-UHFFFAOYSA-N
SMILES:
CSc1ccc(c2c1cccn2)[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:
2.5
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