| CAS Number | 1072944-32-1 |
| Catalog Number | AG003L0G(AGN-PC-07XTYS) |
| Chemical Name | N-(furan-2-ylmethyl) 4-bromo-3-methylbenzamide |
| IUPAC Name | 4-bromo-N-(furan-2-ylmethyl)-3-methylbenzamide |
| InChI | InChI=1S/C13H12BrNO2/c1-9-7-10(4-5-12(9)14)13(16)15-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16) |
| InChI Key | RLPAEHDFGVRAEK-UHFFFAOYSA-N |
| MDL Number | MFCD11504866 |
| Molecular Formula | C13H12BrNO2 |
| Molecular Weight | 294.1439 |
| SMILES | O=C(c1ccc(c(c1)C)Br)NCc1ccco1 |
| Synonyms | 1072944-32-1,
4-Bromo-N-(furan-2-ylmethyl)-3-methylbenzamide,
N-(furan-2-ylmethyl) 4-bromo-3-methylbenzamide,
N-(furan-2-ylmethyl)4-bromo-3-methylbenzamide,
ACMC-2098oj,
CTK4A5133,
DTXSID60674584,
ANW-15521,
MFCD11504866,
ZINC38537097,
AKOS015835275,
RTR-001433,
AJ-95880,
AX8242880,
BC2332727,
TR-001433,
Z6942,
A-4440,
4-Bromo-N-[(furan-2-yl)methyl]-3-methylbenzamide,
I01-11203,
C13H12BrNO2,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.148g/mol |
| Monoisotopic Mass | 293.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number