Cas no 82571-94-6 (4-methoxy-3-nitrophenyl phenyl ketone)
82571-94-6 structure
Product Name:4-methoxy-3-nitrophenyl phenyl ketone
CAS No:82571-94-6
MF:C14H11NO4
MW:257.241443872452
CID:987924
PubChem ID:3600181
Update Time:2025-04-20
4-methoxy-3-nitrophenyl phenyl ketone Chemical and Physical Properties
Names and Identifiers
-
- 4-methoxy-3-nitrophenyl phenyl ketone
- (4-methoxy-3-nitrophenyl)-phenylmethanone
- (4-methoxy-3-nitrophenyl)(phenyl)methanone
- Methanone, (4-methoxy-3-nitrophenyl)phenyl-
- 82571-94-6
- EINECS 279-997-1
- NS00058842
- AKOS002320577
- DTXSID401002798
- EU-0033386
- PDAVXJYHYUUFEY-UHFFFAOYSA-N
- Oprea1_173055
- SCHEMBL10585792
- DB-102294
-
- Inchi： 1S/C14H11NO4/c1-19-13-8-7-11(9-12(13)15(17)18)14(16)10-5-3-2-4-6-10/h2-9H,1H3
- InChI Key： PDAVXJYHYUUFEY-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C(C2C=CC=CC=2)=O)=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 257.06880783g/mol
- Monoisotopic Mass: 257.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 333
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 72.1?2
4-methoxy-3-nitrophenyl phenyl ketone Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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