| CAS Number | 290832-31-4 |
| Catalog Number | AG00BFB4 |
| Chemical Name | 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid |
| IUPAC Name | 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C17H14FNO2/c18-12-6-8-15-14(10-12)13(7-9-16(20)21)17(19-15)11-4-2-1-3-5-11/h1-6,8,10,19H,7,9H2,(H,20,21) |
| InChI Key | OLRWQHZTBMDOHC-UHFFFAOYSA-N |
| MDL Number | MFCD06660845 |
| Molecular Formula | C17H14FNO2 |
| Molecular Weight | 283.2970 |
| SMILES | OC(CCC1C2=C(C=CC(=C2)F)NC=1C1=CC=CC=C1)=O |
| Synonyms | 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid,
290832-31-4,
AC1Q757V,
SCHEMBL6929600,
CTK7J2888,
OLRWQHZTBMDOHC-UHFFFAOYSA-N,
ZINC8939958,
AKOS000122821,
MCULE-7808820188,
NE25765,
EN300-26578,
5-Fluoro-2-phenyl-1H-indole-3-propanoic Acid,
J-510761,
5-nitro-2,4-dimethylpyridine,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.302g/mol |
| Monoisotopic Mass | 283.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number