Cas no 920036-08-4 (Benzonitrile, 3-chloro-5-(3-chloro-5-hydroxyphenoxy)-)
920036-08-4 structure
Product Name:Benzonitrile, 3-chloro-5-(3-chloro-5-hydroxyphenoxy)-
CAS No:920036-08-4
MF:C13H7Cl2NO2
MW:280.106181383133
CID:759093
PubChem ID:57443604
Update Time:2025-04-19
Benzonitrile, 3-chloro-5-(3-chloro-5-hydroxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile, 3-chloro-5-(3-chloro-5-hydroxyphenoxy)-
- 3-chloro-5-(3-chloro-5-hydroxyphenoxy)benzonitrile
- NNPWONUFHCFXRK-UHFFFAOYSA-N
- DTXSID90726489
- 920036-08-4
- SCHEMBL3608019
-
- Inchi： 1S/C13H7Cl2NO2/c14-9-1-8(7-16)2-12(4-9)18-13-5-10(15)3-11(17)6-13/h1-6,17H
- InChI Key： NNPWONUFHCFXRK-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=C(C=1)OC1C=C(C=C(C#N)C=1)Cl)O
Computed Properties
- Exact Mass: 278.9853839g/mol
- 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: 4.1
- Topological Polar Surface Area: 53.2?2
Benzonitrile, 3-chloro-5-(3-chloro-5-hydroxyphenoxy)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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