Cas no 545438-21-9 (2-Furancarboxamide, 5-bromo-N-[(4-methoxyphenyl)methyl]-)
![2-Furancarboxamide, 5-bromo-N-[(4-methoxyphenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/545500/545438-21-9x500.png)
545438-21-9 structure
Product Name:2-Furancarboxamide, 5-bromo-N-[(4-methoxyphenyl)methyl]-
CAS No:545438-21-9
MF:C13H12BrNO3
MW:310.14328289032
CID:354275
PubChem ID:843088
Update Time:2025-04-19
2-Furancarboxamide, 5-bromo-N-[(4-methoxyphenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxamide, 5-bromo-N-[(4-methoxyphenyl)methyl]-
- 5-bromo-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
- AKOS001585828
- KUC100042
- MLS000518280
- CHEMBL1324593
- NCGC00159587-01
- 545438-21-9
- KUC100042N
- SCHEMBL6429154
- HMS2192N15
- HMS1646O04
- DTXSID90357095
- SMR000129124
- 5-bromo-N-(4-methoxybenzyl)-2-furamide
- Z30871359
-
- Inchi： 1S/C13H12BrNO3/c1-17-10-4-2-9(3-5-10)8-15-13(16)11-6-7-12(14)18-11/h2-7H,8H2,1H3,(H,15,16)
- InChI Key： FFVGCUVFUWKYAQ-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(NCC2C=CC(=CC=2)OC)=O)O1
Computed Properties
- Exact Mass: 309.00006
- Monoisotopic Mass: 309.00006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- 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: 3.1
- Topological Polar Surface Area: 51.5?2
Experimental Properties
- PSA: 51.47
2-Furancarboxamide, 5-bromo-N-[(4-methoxyphenyl)methyl]- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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