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288401-07-0 | Ethanone, 1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)-
CAS No: 288401-07-0 Catalog No: AG002WSE MDL No:
Product Description
Catalog Number:
AG002WSE
Chemical Name:
Ethanone, 1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)-
CAS Number:
288401-07-0
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
IUPAC Name:
1-(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)ethanone
InChI:
InChI=1S/C9H8ClNO4/c1-4-7(10)3-6(5(2)12)9(13)8(4)11(14)15/h3,13H,1-2H3
InChI Key:
UQVHWGGRXQWGGY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)c(cc(c1C)Cl)C(=O)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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