| CAS Number | 142044-91-5 |
| Catalog Number | AG009AVO(AGN-PC-0KSG73) |
| Chemical Name | 1-(3-chloro-4-methylphenyl)-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1-(3-chloro-4-methylphenyl)pyrrole-2-carbaldehyde |
| InChI | InChI=1S/C12H10ClNO/c1-9-4-5-10(7-12(9)13)14-6-2-3-11(14)8-15/h2-8H,1H3 |
| InChI Key | ZFAIXYQSMZDJFJ-UHFFFAOYSA-N |
| MDL Number | MFCD02664874 |
| Molecular Formula | C12H10ClNO |
| Molecular Weight | 219.6669 |
| SMILES | O=Cc1cccn1c1ccc(c(c1)Cl)C |
| Synonyms | 1-(3-chloro-4-methylphenyl)-1H-pyrrole-2-carbaldehyde,
142044-91-5,
AC1MOPOJ,
1-(3-chloro-4-methylphenyl)pyrrole-2-carbaldehyde,
SCHEMBL9044926,
CTK8G9378,
DTXSID80391463,
ZINC3676298,
BBL022074,
MFCD02664874,
STK894791,
AKOS000101515,
MCULE-3964633396,
NCGC00325417-01,
H8170,
AB01320350-02,
ZINC03676298,
CID3324123,
1- -1H-PYRROLE-2-CARBALDEHYDE,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.668g/mol |
| Monoisotopic Mass | 219.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number