Cas no 6116-49-0 (3-bromo-N-(4-chlorobenzyl)benzamide)
6116-49-0 structure
Product Name:3-bromo-N-(4-chlorobenzyl)benzamide
CAS No:6116-49-0
MF:C14H11BrClNO
MW:324.60024189949
CID:1627721
PubChem ID:800305
Update Time:2025-04-21
3-bromo-N-(4-chlorobenzyl)benzamide Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-N-(4-chlorobenzyl)benzamide
- benzamide, 3-bromo-N-[(4-chlorophenyl)methyl]-
- STK159802
- 3-bromo-N-[(4-chlorophenyl)methyl]benzamide
- 3-Bromo-N-[(4-chlorophenyl)methyl]benzene-1-carboximidic acid
- BIM-0004147.P001
- SMSF0014380
- AKOS000449889
- 6116-49-0
- CBMicro_003956
- CB06126
- DTXSID60976671
-
- Inchi： 1S/C14H11BrClNO/c15-12-3-1-2-11(8-12)14(18)17-9-10-4-6-13(16)7-5-10/h1-8H,9H2,(H,17,18)
- InChI Key： FHQBTGSVGGHREM-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C(NCC1C=CC(=CC=1)Cl)=O
Computed Properties
- Exact Mass: 322.97133
- Monoisotopic Mass: 322.971254
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 279
- 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: 3.5
- Topological Polar Surface Area: 29.1
Experimental Properties
- Density: 1.484
- Boiling Point: 463.2°C at 760 mmHg
- Flash Point: 233.9°C
- Refractive Index: 1.621
- PSA: 29.1
3-bromo-N-(4-chlorobenzyl)benzamide Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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