Cas no 719274-37-0 (Benzonitrile, 2-methoxy-4-(phenylmethoxy)-)
719274-37-0 structure
Product Name:Benzonitrile, 2-methoxy-4-(phenylmethoxy)-
CAS No:719274-37-0
MF:C15H13NO2
MW:239.269223928452
CID:544807
PubChem ID:22591720
Update Time:2025-04-19
Benzonitrile, 2-methoxy-4-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-methoxy-4-(phenylmethoxy)-
- 2-methoxy-4-phenylmethoxybenzonitrile
- VLNZEGSKTAONOT-UHFFFAOYSA-N
- FT-0747689
- 4-(benzyloxy)-2-methoxybenzonitrile
- 4-benzyloxy-2-methoxybenzonitrile
- 719274-37-0
- A1-05456
- SCHEMBL4184465
- DTXSID70626675
-
- Inchi： 1S/C15H13NO2/c1-17-15-9-14(8-7-13(15)10-16)18-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3
- InChI Key： VLNZEGSKTAONOT-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=C(C=1)OC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 239.09469
- Monoisotopic Mass: 239.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 290
- 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: 42.2?2
Experimental Properties
- PSA: 42.25
Benzonitrile, 2-methoxy-4-(phenylmethoxy)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
719274-37-0 (Benzonitrile, 2-methoxy-4-(phenylmethoxy)-) Related Products
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