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Home > Nitro Compounds > 23699-40-3
23699-40-3 | Ethanone, 1-[4-(2-nitrophenoxy)phenyl]-
CAS No: 23699-40-3 Catalog No: AG002O6E MDL No:
Product Description
Catalog Number:
AG002O6E
Chemical Name:
Ethanone, 1-[4-(2-nitrophenoxy)phenyl]-
CAS Number:
23699-40-3
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
IUPAC Name:
1-[4-(2-nitrophenoxy)phenyl]ethanone
InChI:
InChI=1S/C14H11NO4/c1-10(16)11-6-8-12(9-7-11)19-14-5-3-2-4-13(14)15(17)18/h2-9H,1H3
InChI Key:
LMJUIIVLTHMZRA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Oc1ccc(cc1)C(=O)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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