| CAS Number | 383132-69-2 |
| Catalog Number | AG00I7L0(AGN-PC-0WOBVM) |
| Chemical Name | 6-bromo-4-fluoro-1H-indole-2-carboxylic acid |
| IUPAC Name | 6-bromo-4-fluoro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5BrFNO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14) |
| InChI Key | XNKKISMQGBBMKM-UHFFFAOYSA-N |
| MDL Number | MFCD02664479 |
| Molecular Formula | C9H5BrFNO2 |
| Molecular Weight | 258.0439 |
| SMILES | OC(C1NC2=C(C(=CC(=C2)Br)F)C=1)=O |
| Synonyms | 6-bromo-4-fluoro-1H-indole-2-carboxylic Acid,
383132-69-2,
AC1MOCGE,
AC1Q73SS,
SCHEMBL3610786,
CTK5I6440,
XNKKISMQGBBMKM-UHFFFAOYSA-N,
ZINC3748673,
MFCD02664479,
AKOS009041236,
MCULE-4123055649,
NE22879,
EN300-15112,
Z367450830,
ACN-029414,
CID3318123,
6-bromanyl-4-fluoranyl-1H-indole-2-carboxylic acid,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.046g/mol |
| Monoisotopic Mass | 256.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number