Cas no 762266-07-9 (4-(bis(4-fluorophenyl)(hydroxy)methyl)-3-(hydroxymethyl)benzonitrile)
762266-07-9 structure
Product Name:4-(bis(4-fluorophenyl)(hydroxy)methyl)-3-(hydroxymethyl)benzonitrile
CAS No:762266-07-9
MF:C21H15F2NO2
MW:351.3461124897
CID:2361295
PubChem ID:69207115
Update Time:2025-04-21
4-(bis(4-fluorophenyl)(hydroxy)methyl)-3-(hydroxymethyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(bis(4-fluorophenyl)(hydroxy)methyl)-3-(hydroxymethyl)benzonitrile
- SCHEMBL4829550
- G15782
- 762266-07-9
- BNUIKEORRSAIAY-UHFFFAOYSA-N
- 3-hydroxymethyl-4-[bis(4-fluorophenyl)hydroxymethyl]benzonitrile
-
- Inchi： 1S/C21H15F2NO2/c22-18-6-2-16(3-7-18)21(26,17-4-8-19(23)9-5-17)20-10-1-14(12-24)11-15(20)13-25/h1-11,25-26H,13H2
- InChI Key： BNUIKEORRSAIAY-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)C(C1C=CC(=CC=1)F)(C1C=CC(C#N)=CC=1CO)O
Computed Properties
- Exact Mass: 351.10708505Da
- Monoisotopic Mass: 351.10708505Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 481
- 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: 3.2
- Topological Polar Surface Area: 64.3?2
4-(bis(4-fluorophenyl)(hydroxy)methyl)-3-(hydroxymethyl)benzonitrile Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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