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Home > Nitro Compounds > 874499-33-9
874499-33-9 | 4-Quinolinol,3,6-dinitro-
CAS No: 874499-33-9 Catalog No: AG004KBX MDL No:
Product Description
Catalog Number:
AG004KBX
Chemical Name:
4-Quinolinol,3,6-dinitro-
CAS Number:
874499-33-9
Molecular Formula:
C9H5N3O5
Molecular Weight:
235.1531
IUPAC Name:
3,6-dinitro-1H-quinolin-4-one
InChI:
InChI=1S/C9H5N3O5/c13-9-6-3-5(11(14)15)1-2-7(6)10-4-8(9)12(16)17/h1-4H,(H,10,13)
InChI Key:
YOFJDNXGWZPDCB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(O)c(cn2)[N+](=O)[O-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.155g/mol
Monoisotopic Mass:
235.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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