Cas no 59611-57-3 ( )
structure
Product Name:
CAS No:59611-57-3
MF:C12H11ClN2O
MW:234.68154168129
CID:950404
PubChem ID:227603
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N-(4-chloro-2-methylquinolin-6-yl)acetamide
- 6-acetamide-4-chloro-2-methylquinoline
- 6-Acetamino-4-chlor-chinaldin
- AC1L5FM0
- AC1Q5N0V
- AR-1J9030
- N-(4-Chlor-2-methyl-[6]chinolyl)-acetamid
- N-(4-chloro-2-methyl-[6]quinolyl)-acetamide
- N-(4-chloro-2-methyl-6-quinolyl)acetamide
- N-(4-CHLORO-2-METHYL-QUINOLIN-6-YL)ACETAMIDE
- NSC19461
- Oprea1_053151
- SureCN5989580
- NSC-19461
- SCHEMBL5989580
- DTXSID20280968
- CGKDHJPGFCSXQP-UHFFFAOYSA-N
- 6-Acetamido-4-chloro-2-methylquinoline
- 59611-57-3
-
-
- Inchi： 1S/C12H11ClN2O/c1-7-5-11(13)10-6-9(15-8(2)16)3-4-12(10)14-7/h3-6H,1-2H3,(H,15,16)
- InChI Key： CGKDHJPGFCSXQP-UHFFFAOYSA-N
- SMILES： ClC1C=C(C)N=C2C=CC(=CC2=1)NC(C)=O
Computed Properties
- Exact Mass: 234.05613
- Monoisotopic Mass: 234.0559907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 272
- 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: 2.4
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 41.99
- LogP: 3.22800
Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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