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Home > Nitro Compounds > 83220-10-4
83220-10-4 | 2-Quinolinecarbothioamide, 6-methoxy-5-nitro-
CAS No: 83220-10-4 Catalog No: AG0057JO MDL No:
Product Description
Catalog Number:
AG0057JO
Chemical Name:
2-Quinolinecarbothioamide, 6-methoxy-5-nitro-
CAS Number:
83220-10-4
Molecular Formula:
C11H9N3O3S
Molecular Weight:
263.2725
IUPAC Name:
6-methoxy-5-nitroquinoline-2-carbothioamide
InChI:
InChI=1S/C11H9N3O3S/c1-17-9-5-4-7-6(10(9)14(15)16)2-3-8(13-7)11(12)18/h2-5H,1H3,(H2,12,18)
InChI Key:
MEVUEOUPHLKSNA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])ccc(n2)C(=S)N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.271g/mol
Monoisotopic Mass:
263.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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