Cas no 53527-18-7 (acetamide, 2-chloro-n-(3,4-dihydroxyphenyl)- (9ci))
53527-18-7 structure
Product Name:acetamide, 2-chloro-n-(3,4-dihydroxyphenyl)- (9ci)
CAS No:53527-18-7
MF:C8H8ClNO3
MW:201.607021331787
CID:938705
PubChem ID:45092925
Update Time:2025-04-19
acetamide, 2-chloro-n-(3,4-dihydroxyphenyl)- (9ci) Chemical and Physical Properties
Names and Identifiers
-
- acetamide, 2-chloro-n-(3,4-dihydroxyphenyl)- (9ci)
- DB-325714
- Acetamide, 2-chloro-N-(3,4-dihydroxyphenyl)-
- SCHEMBL14706934
- 53527-18-7
- ACETAMIDE,2-CHLORO-N-(3,4-DIHYDROXYPHENYL)-
-
- Inchi： 1S/C8H8ClNO3/c9-4-8(13)10-5-1-2-6(11)7(12)3-5/h1-3,11-12H,4H2,(H,10,13)
- InChI Key： PIOHVOSEHNVCCO-UHFFFAOYSA-N
- SMILES： ClCC(NC1C=CC(=C(C=1)O)O)=O
Computed Properties
- Exact Mass: 201.0192708g/mol
- Monoisotopic Mass: 201.0192708g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 69.6?2
acetamide, 2-chloro-n-(3,4-dihydroxyphenyl)- (9ci) Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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