| CAS Number | 926249-89-0 |
| Catalog Number | AG019XMD(AGN-PC-0WONB9) |
| Chemical Name | Methyl 6-bromo-4-fluoro-1H-indole-2-carboxylate |
| IUPAC Name | methyl 6-bromo-4-fluoro-1H-indole-2-carboxylate |
| InChI | InChI=1S/C10H7BrFNO2/c1-15-10(14)9-4-6-7(12)2-5(11)3-8(6)13-9/h2-4,13H,1H3 |
| InChI Key | SIMHWODHYSPCLW-UHFFFAOYSA-N |
| MDL Number | MFCD09042158 |
| Molecular Formula | C10H7BrFNO2 |
| Molecular Weight | 272.0705 |
| SMILES | COC(C1NC2=C(C(=CC(=C2)Br)F)C=1)=O |
| Synonyms | methyl 6-bromo-4-fluoro-1H-indole-2-carboxylate,
926249-89-0,
6-BROMO-4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID, METHYL ESTER,
ACN-029415,
methyl 6-bromanyl-4-fluoranyl-1H-indole-2-carboxylate,
AC1Q43N5,
CTK6I9557,
ZINC21950459,
AKOS000123981,
MCULE-7566477580,
NE27379,
EN300-55398,
Z380352562,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.073g/mol |
| Monoisotopic Mass | 270.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number