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Home > Nitro Compounds > 10114-48-4
10114-48-4 | 2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[2-(2-nitrophenyl)diazenyl]-
CAS No: 10114-48-4 Catalog No: AG0003TX MDL No:
Product Description
Catalog Number:
AG0003TX
Chemical Name:
2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[2-(2-nitrophenyl)diazenyl]-
CAS Number:
10114-48-4
Molecular Formula:
C16H12N4O4
Molecular Weight:
324.2909
IUPAC Name:
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
InChI:
InChI=1S/C16H12N4O4/c1-19-12-8-4-2-6-10(12)15(21)14(16(19)22)18-17-11-7-3-5-9-13(11)20(23)24/h2-9,21H,1H3
InChI Key:
BUJQHRIAICVCEJ-UHFFFAOYSA-N
SMILES:
Oc1c(N=Nc2ccccc2[N+](=O)[O-])c(=O)n(c2c1cccc2)C
EC Number:
233-312-2
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.086g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.296g/mol
Monoisotopic Mass:
324.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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