Cas no 89403-98-5 (Benzonitrile, 2-amino-3,4,5-trichloro-)
89403-98-5 structure
Product Name:Benzonitrile, 2-amino-3,4,5-trichloro-
CAS No:89403-98-5
MF:C7H3Cl3N2
MW:221.471118211746
CID:602024
PubChem ID:23460362
Update Time:2025-04-19
Benzonitrile, 2-amino-3,4,5-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-amino-3,4,5-trichloro-
- 2-amino-3,4,5-trichlorobenzonitrile
- SCHEMBL11309680
- DTXSID30634357
- 89403-98-5
-
- Inchi： 1S/C7H3Cl3N2/c8-4-1-3(2-11)7(12)6(10)5(4)9/h1H,12H2
- InChI Key： VPDFRZTVWDWDEX-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC(C#N)=C1N)Cl)Cl
Computed Properties
- Exact Mass: 219.936181g/mol
- Monoisotopic Mass: 219.936181g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 212
- 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: 3.7
- Topological Polar Surface Area: 49.8?2
Benzonitrile, 2-amino-3,4,5-trichloro- Related Literature
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1. Agricultural
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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