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Home > Nitro Compounds > 75919-92-5
75919-92-5 | 4-Acetyl-4-nitrodiphenyl ether, 97%
CAS No: 75919-92-5 Catalog No: AG003KML MDL No:MFCD00052956
Product Description
Catalog Number:
AG003KML
Chemical Name:
4-Acetyl-4-nitrodiphenyl ether, 97%
CAS Number:
75919-92-5
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD00052956
IUPAC Name:
1-[4-(4-nitrophenoxy)phenyl]ethanone
InChI:
InChI=1S/C14H11NO4/c1-10(16)11-2-6-13(7-3-11)19-14-8-4-12(5-9-14)15(17)18/h2-9H,1H3
InChI Key:
IRWXEFXORSDYQA-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
NSC Number:
43064
Properties
Complexity:
323
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:
3.1
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