Cas no 58543-90-1 (Benzonitrile, 4-chloro-2,5-dihydroxy-)
58543-90-1 structure
Product Name:Benzonitrile, 4-chloro-2,5-dihydroxy-
CAS No:58543-90-1
MF:C7H4ClNO2
MW:169.565160751343
CID:948649
PubChem ID:28062343
Update Time:2025-04-19
Benzonitrile, 4-chloro-2,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-chloro-2,5-dihydroxy-
- DB-325968
- AKOS024390393
- 58543-90-1
- Benzonitrile, 4-chloro-2,5-dihydroxy-
-
- Inchi： 1S/C7H4ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H
- InChI Key： AOVBRPXANMQGFD-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C#N)C=C1O)O
Computed Properties
- Exact Mass: 168.993
- Monoisotopic Mass: 168.993
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 188
- 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
- Topological Polar Surface Area: 64.2A^2
- XLogP3: 2.1
Benzonitrile, 4-chloro-2,5-dihydroxy- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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