Cas no 652997-59-6 (Benzonitrile, 4-iodo-3-(phenylmethoxy)-)
652997-59-6 structure
Product Name:Benzonitrile, 4-iodo-3-(phenylmethoxy)-
CAS No:652997-59-6
MF:C14H10INO
MW:335.139775753021
CID:400790
PubChem ID:23076826
Update Time:2025-04-19
Benzonitrile, 4-iodo-3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-iodo-3-(phenylmethoxy)-
- 4-iodo-3-phenylmethoxybenzonitrile
- SCHEMBL6072398
- DTXSID50630311
- 3-(Benzyloxy)-4-iodobenzonitrile
- 652997-59-6
-
- Inchi： 1S/C14H10INO/c15-13-7-6-12(9-16)8-14(13)17-10-11-4-2-1-3-5-11/h1-8H,10H2
- InChI Key： AKXYRAFKYJATOL-UHFFFAOYSA-N
- SMILES： IC1=CC=C(C#N)C=C1OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 334.9803
- Monoisotopic Mass: 334.98071g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 279
- 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: 3.8
- Topological Polar Surface Area: 33?2
Experimental Properties
- PSA: 33.02
Benzonitrile, 4-iodo-3-(phenylmethoxy)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
652997-59-6 (Benzonitrile, 4-iodo-3-(phenylmethoxy)-) Related Products
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