| CAS Number | 33694-79-0 |
| Catalog Number | AG01DWCN(AGN-PC-0NI1R6) |
| Chemical Name | 4-Bromo-1-methyl-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 4-bromo-1-methylpyrrole-2-carbaldehyde |
| InChI | InChI=1S/C6H6BrNO/c1-8-3-5(7)2-6(8)4-9/h2-4H,1H3 |
| InChI Key | VEEDIVXHCKQZMS-UHFFFAOYSA-N |
| MDL Number | MFCD24674290 |
| Molecular Formula | C6H6BrNO |
| Molecular Weight | 188.0219 |
| SMILES | CN1C(C=O)=CC(Br)=C1 |
| Synonyms | 4-bromo-1-methyl-1H-pyrrole-2-carbaldehyde,
33694-79-0,
1-methyl-2-formyl-4-bromopyrrole,
SCHEMBL5393454,
VEEDIVXHCKQZMS-UHFFFAOYSA-N,
BB_SC-11392,
BBL033385,
STL374127,
ZINC38885643,
AKOS015832788,
FCH1994231,
MCULE-2725462214,
N-Methyl-4-bromo-2-pyrrolecarboxaldehyde,
n-methyl-4-bromo-2-pyrrole-carboxaldehyde,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.024g/mol |
| Monoisotopic Mass | 186.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number