| CAS Number | 869472-64-0 |
| Catalog Number | AG00GUDY |
| Chemical Name | 3-[2-(4-FLUOROPHENYL)-1H-INDOL-3-YL]PROPANOIC ACID |
| IUPAC Name | 3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid |
| InChI | InChI=1S/C17H14FNO2/c18-12-7-5-11(6-8-12)17-14(9-10-16(20)21)13-3-1-2-4-15(13)19-17/h1-8,19H,9-10H2,(H,20,21) |
| InChI Key | YKHLOIXZUIBBHT-UHFFFAOYSA-N |
| MDL Number | MFCD06660846 |
| Molecular Formula | C17H14FNO2 |
| Molecular Weight | 283.2970 |
| SMILES | O=C(O)CCC1=C(C2=CC=C(F)C=C2)NC3=C1C=CC=C3 |
| Synonyms | 3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoic Acid,
869472-64-0,
3-(2-(4-Fluorophenyl)-1H-indol-3-yl)propanoic acid,
AC1OFKEO,
AC1Q757W,
CTK7J2893,
ZINC4218460,
MFCD06660846,
AKOS000122831,
MCULE-6074510043,
NE32081,
EN300-14651,
J-511455,
Z104378210,
3-[2-(4-Fluorophenyl)-1H-indol-3-yl]propanoic acid, AldrichCPR,
CID7130984,
|
| Complexity | 368 |
| 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