| CAS Number | 1133116-27-4 |
| Catalog Number | AG007SM5(AGN-PC-0WAB1W) |
| Chemical Name | 5-Bromo-1-(4-Methoxybenzyl)Pyrrole-2-Carbaldehyde |
| IUPAC Name | 5-bromo-1-[(4-methoxyphenyl)methyl]pyrrole-2-carbaldehyde |
| InChI | InChI=1S/C13H12BrNO2/c1-17-12-5-2-10(3-6-12)8-15-11(9-16)4-7-13(15)14/h2-7,9H,8H2,1H3 |
| InChI Key | VVFQWAQBFJMECR-UHFFFAOYSA-N |
| MDL Number | MFCD11855943 |
| Molecular Formula | C13H12BrNO2 |
| Molecular Weight | 294.1439 |
| SMILES | COc1ccc(cc1)Cn1c(Br)ccc1C=O |
| Synonyms | 1133116-27-4,
5-Bromo-1-(4-methoxybenzyl)-1H-pyrrole-2-carbaldehyde,
5-BROMO-1-(4-METHOXYBENZYL)PYRROLE-2-CARBALDEHYDE,
ACMC-2099j9,
SCHEMBL2556938,
CTK4A8248,
DTXSID30675008,
ANW-16627,
MFCD11855943,
ZINC38537472,
AKOS015835610,
RTR-002582,
AJ-96137,
AX8239672,
TR-002582,
ST24023849,
Z7463,
A-5016,
I01-11071,
5-Bromo-1-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carbaldehyde,
C13H12BrNO2,
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| Complexity | 254 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.148g/mol |
| Monoisotopic Mass | 293.005g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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