| CAS Number | 18159-24-5 |
| Catalog Number | AG0022YR(AGN-PC-007G9L) |
| Chemical Name | 1-Benzylpyrrole-2-carbaldehyde |
| IUPAC Name | 1-benzylpyrrole-2-carbaldehyde |
| InChI | InChI=1S/C12H11NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-8,10H,9H2 |
| InChI Key | JNHZZTKKFSPICX-UHFFFAOYSA-N |
| MDL Number | MFCD09674969 |
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.2218 |
| SMILES | O=CC1N(CC2=CC=CC=C2)C=CC=1 |
| Synonyms | 1-BENZYL-1H-PYRROLE-2-CARBALDEHYDE,
18159-24-5,
1-benzylpyrrole-2-carbaldehyde,
1-benzyl-1H-pyrrole-2-carboxaldehyde,
1H-Pyrrole-2-carboxaldehyde, 1-(phenylmethyl)-,
1-benzyl-2-formylpyrrole,
N-benzylpyrrole-2-carbaldehyde,
SCHEMBL1244152,
CTK0E2956,
DTXSID80456147,
JNHZZTKKFSPICX-UHFFFAOYSA-N,
ZINC8728385,
AB3108,
MFCD09674969,
AKOS000101375,
NE60331,
AS-44685,
EN300-77475,
CID11126964,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.226g/mol |
| Monoisotopic Mass | 185.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number