| CAS Number | 84313-94-0 |
| Catalog Number | AG00568C(AGN-PC-0URARK) |
| Chemical Name | 4-(3,4-Difluorophenyl)-4-oxobutanoic acid |
| IUPAC Name | 4-(3,4-difluorophenyl)-4-oxobutanoic acid |
| InChI | InChI=1S/C10H8F2O3/c11-7-2-1-6(5-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15) |
| InChI Key | GYDFFFKCUNUZEL-UHFFFAOYSA-N |
| MDL Number | MFCD01320069 |
| Molecular Formula | C10H8F2O3 |
| Molecular Weight | 214.1655 |
| SMILES | OC(CCC(C1=CC(F)=C(F)C=C1)=O)=O |
| Synonyms | 4-(3,4-difluorophenyl)-4-oxobutanoic acid,
4-(3,4-Difluorophenyl)-4-oxobutyric acid,
84313-94-0,
AC1MBXXC,
fluorobenzoylpropionic acid,
SCHEMBL727030,
CTK5F2193,
DTXSID70374280,
GYDFFFKCUNUZEL-UHFFFAOYSA-N,
ZINC2378674,
AKOS000161822,
MCULE-3281805361,
NE30320,
RP26803,
Z1407007411,
4- -4-OXOBUTYRICACID,
CID2758337,
4-(3,4-difluorophenyl)-4-oxo-butanoic Acid,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.168g/mol |
| Monoisotopic Mass | 214.044g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number