| CAS Number | 881189-64-6 |
| Catalog Number | AG008CDG(AGN-PC-07XT2O) |
| Chemical Name | Benzenepropanoicacid, 4-fluoro-3-methyl- |
| IUPAC Name | 3-(4-fluoro-3-methylphenyl)propanoic acid |
| InChI | InChI=1S/C10H11FO2/c1-7-6-8(2-4-9(7)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13) |
| InChI Key | CYLOSAIKMFNNEO-UHFFFAOYSA-N |
| MDL Number | MFCD09025393 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | OC(=O)CCc1ccc(c(c1)C)F |
| Synonyms | 881189-64-6,
3-(4-fluoro-3-methylphenyl)propanoic acid,
3-(4-FLUORO-3-METHYLPHENYL)PROPIONIC ACID,
MFCD09025393,
Benzenepropanoicacid, 4-fluoro-3-methyl-,
F9995-1021,
SCHEMBL14430305,
CTK3E6212,
DTXSID40674007,
SBB089896,
STL302112,
ZINC36180245,
AKOS011401498,
JS-4628,
MCULE-7289492177,
3-(4-Fluoro-3-methyl-phenyl)-propionic acid,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.194g/mol |
| Monoisotopic Mass | 182.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number