Cas no 99902-79-1 (Benzonitrile,2-(4-methoxyphenoxy)-5-nitro-)
99902-79-1 structure
Product Name:Benzonitrile,2-(4-methoxyphenoxy)-5-nitro-
CAS No:99902-79-1
MF:C14H10N2O4
MW:270.240203380585
CID:815735
PubChem ID:514843
Update Time:2025-04-19
Benzonitrile,2-(4-methoxyphenoxy)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2-(4-methoxyphenoxy)-5-nitro-
- 2-(4-methoxyphenoxy)-5-nitrobenzonitrile
- DTXSID00244321
- 2-(4-METHOXYPHENOXY)-5-NITRO-BENZONITRILE
- CHEMBL137439
- 99902-79-1
- Benzonitrile, 2-(4-methoxyphenoxy)-5-nitro-
- AKOS017261941
-
- Inchi： 1S/C14H10N2O4/c1-19-12-3-5-13(6-4-12)20-14-7-2-11(16(17)18)8-10(14)9-15/h2-8H,1H3
- InChI Key： HNBGIGBUYIOXGC-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OC)C1C=CC(=CC=1C#N)[N+](=O)[O-]
Computed Properties
- Exact Mass: 270.064057
- Monoisotopic Mass: 270.064057
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 378
- 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
- Topological Polar Surface Area: 88.1
- XLogP3: 3
Experimental Properties
- Density: 1.35
- Boiling Point: 394.1°Cat760mmHg
- Flash Point: 192.1°C
- Refractive Index: 1.618
Benzonitrile,2-(4-methoxyphenoxy)-5-nitro- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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