Cas no 68534-32-7 (Benzonitrile, 4-(2,4-dichlorophenoxy)-2-hydroxy-)
68534-32-7 structure
Product Name:Benzonitrile, 4-(2,4-dichlorophenoxy)-2-hydroxy-
CAS No:68534-32-7
MF:C13H7Cl2NO2
MW:280.106181383133
CID:392966
PubChem ID:13186116
Update Time:2025-04-19
Benzonitrile, 4-(2,4-dichlorophenoxy)-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(2,4-dichlorophenoxy)-2-hydroxy-
- 4-(2,4-dichlorophenoxy)-2-hydroxybenzonitrile
- SCHEMBL11193415
- 68534-32-7
- DTXSID30525832
-
- Inchi： 1S/C13H7Cl2NO2/c14-9-2-4-13(11(15)5-9)18-10-3-1-8(7-16)12(17)6-10/h1-6,17H
- InChI Key： REYZKTYSGRBXET-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1OC1C=CC(C#N)=C(C=1)O)Cl
Computed Properties
- Exact Mass: 278.98551
- Monoisotopic Mass: 278.9853839g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 330
- 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: 4.6
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- PSA: 53.25
Benzonitrile, 4-(2,4-dichlorophenoxy)-2-hydroxy- Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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