| CAS Number | 1072944-36-5 |
| Catalog Number | AG003L0F(AGN-PC-07XU2Q) |
| Chemical Name | N-(Furan-2-ylmethyl) 4-bromo-3-methoxybenzamide |
| IUPAC Name | 4-bromo-N-(furan-2-ylmethyl)-3-methoxybenzamide |
| InChI | InChI=1S/C13H12BrNO3/c1-17-12-7-9(4-5-11(12)14)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16) |
| InChI Key | YVMYXOXEBXTIEM-UHFFFAOYSA-N |
| MDL Number | MFCD11504871 |
| Molecular Formula | C13H12BrNO3 |
| Molecular Weight | 310.1433 |
| SMILES | COc1cc(ccc1Br)C(=O)NCc1ccco1 |
| Synonyms | 1072944-36-5,
4-Bromo-N-(furan-2-ylmethyl)-3-methoxybenzamide,
N-(Furan-2-ylmethyl) 4-bromo-3-methoxybenzamide,
N-(Furan-2-ylmethyl)4-bromo-3-methoxybenzamide,
ACMC-2098on,
CTK4A5137,
DTXSID10674716,
ANW-15525,
MFCD11504871,
ZINC38537170,
AKOS015835285,
RTR-001437,
AJ-95936,
AX8242879,
TR-001437,
Z6946,
A-4444,
4-Bromo-N-[(furan-2-yl)methyl]-3-methoxybenzamide,
I01-11204,
C13H12BrNO3,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.147g/mol |
| Monoisotopic Mass | 309g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number