| CAS Number | 1823324-74-8 |
| Catalog Number | AG00I18P(AGN-PC-0WR2S5) |
| Chemical Name | 4,6-difluoro-1-methyl-1H-indole-5-carbaldehyde |
| IUPAC Name | 4,6-difluoro-1-methylindole-5-carbaldehyde |
| InChI | InChI=1S/C10H7F2NO/c1-13-3-2-6-9(13)4-8(11)7(5-14)10(6)12/h2-5H,1H3 |
| InChI Key | NEXOMCORLFUQOE-UHFFFAOYSA-N |
| MDL Number | MFCD28133610 |
| Molecular Formula | C10H7F2NO |
| Molecular Weight | 195.1655 |
| SMILES | CN1C=CC2=C1C=C(F)C(C=O)=C2F |
| Synonyms | 4,6-Difluoro-1-methyl-1H-indole-5-carbaldehyde,
1823324-74-8,
MFCD28133610,
ZINC255189016,
AS-42948,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.169g/mol |
| Monoisotopic Mass | 195.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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