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125629-23-4 | 2(1H)-Quinoxalinone, 3-(2-chloro-3,4-dihydroxy-5-nitrophenyl)-
CAS No: 125629-23-4 Catalog No: AG000NZI MDL No:
Product Description
Catalog Number:
AG000NZI
Chemical Name:
2(1H)-Quinoxalinone, 3-(2-chloro-3,4-dihydroxy-5-nitrophenyl)-
CAS Number:
125629-23-4
Molecular Formula:
C14H8ClN3O5
Molecular Weight:
333.6834
IUPAC Name:
3-(2-chloro-3,4-dihydroxy-5-nitrophenyl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C14H8ClN3O5/c15-10-6(5-9(18(22)23)12(19)13(10)20)11-14(21)17-8-4-2-1-3-7(8)16-11/h1-5,19-20H,(H,17,21)
InChI Key:
QZNQPUPLOHPCDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(c(c1O)O)Cl)c1nc2ccccc2[nH]c1=O
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.015g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.684g/mol
Monoisotopic Mass:
333.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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