Cas no 26974-77-6 (3-Bromo-N-(2-chlorophenyl)propanamide)
26974-77-6 structure
Product Name:3-Bromo-N-(2-chlorophenyl)propanamide
CAS No:26974-77-6
MF:C9H9BrClNO
MW:262.53086066246
CID:2931010
Update Time:2023-08-10
3-Bromo-N-(2-chlorophenyl)propanamide Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-N-(2-chlorophenyl)propanamide
- BBL018098
- STL182085
- H5793
- 3-Bromo-N-(2-chlorophenyl)propanamide
-
- Inchi： 1S/C9H9BrClNO/c10-6-5-9(13)12-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13)
- InChI Key： RVIDDPVOLDPNMW-UHFFFAOYSA-N
- SMILES： BrCCC(NC1C=CC=CC=1Cl)=O
Computed Properties
- Exact Mass: 260.95560 g/mol
- Monoisotopic Mass: 260.95560 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 177
- 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
- Molecular Weight: 262.53
- XLogP3: 2
- Topological Polar Surface Area: 29.1
3-Bromo-N-(2-chlorophenyl)propanamide Related Literature
-
Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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