Cas no 1591-33-9 (Benzonitrile, 2-nitro-6-(phenylmethoxy)-)
1591-33-9 structure
Product Name:Benzonitrile, 2-nitro-6-(phenylmethoxy)-
CAS No:1591-33-9
MF:C14H10N2O3
MW:254.24080324173
CID:1338014
PubChem ID:20349024
Update Time:2025-04-20
Benzonitrile, 2-nitro-6-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2-nitro-6-phenylmethoxybenzonitrile
- Benzonitrile, 2-nitro-6-(phenylmethoxy)-
- 1591-33-9
- WAKYNMMDKOTQDY-UHFFFAOYSA-N
- 2-(Benzyloxy)-6-nitrobenzonitrile
- 2-nitro-6-(benzyloxy)benzonitrile
- SCHEMBL2411327
- DTXSID30605805
-
- Inchi： 1S/C14H10N2O3/c15-9-12-13(16(17)18)7-4-8-14(12)19-10-11-5-2-1-3-6-11/h1-8H,10H2
- InChI Key： WAKYNMMDKOTQDY-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C=1C#N)[N+](=O)[O-])CC1C=CC=CC=1
Computed Properties
- Exact Mass: 254.0692
- Monoisotopic Mass: 254.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 351
- 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: 2.9
- Topological Polar Surface Area: 78.8?2
Experimental Properties
- PSA: 76.16
Benzonitrile, 2-nitro-6-(phenylmethoxy)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
1591-33-9 (Benzonitrile, 2-nitro-6-(phenylmethoxy)-) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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