| CAS Number | 260267-07-0 |
| Catalog Number | AG002RER(AGN-PC-01WD54) |
| Chemical Name | 1H-Indole-3-carboxaldehyde, 5,6-difluoro- |
| IUPAC Name | 5,6-difluoro-1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C9H5F2NO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H |
| InChI Key | JVFNNILBFBSJLA-UHFFFAOYSA-N |
| MDL Number | MFCD09954781 |
| Molecular Formula | C9H5F2NO |
| Molecular Weight | 181.1389 |
| SMILES | O=CC1=CNC2=C1C=C(F)C(F)=C2 |
| Synonyms | 5,6-difluoro-1h-indole-3-carbaldehyde,
260267-07-0,
1H-Indole-3-carboxaldehyde, 5,6-difluoro-,
5,6-Difluoro-1H-indole-3-carboxaldehyde,
SCHEMBL186914,
JVFNNILBFBSJLA-UHFFFAOYSA-N,
FCH878753,
ZINC26894166,
AKOS006312268,
DB-067518,
FT-0768442,
D26070,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.142g/mol |
| Monoisotopic Mass | 181.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number