| CAS Number | 958891-05-9 |
| Catalog Number | AG00JW4R(AGN-PC-0WO30N) |
| Chemical Name | 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14) |
| InChI Key | TXCSUIQCEFRHID-UHFFFAOYSA-N |
| MDL Number | MFCD10686933 |
| Molecular Formula | C10H8FNO3 |
| Molecular Weight | 209.1738 |
| SMILES | OC(C1ON=C(C2=CC(F)=CC=C2)C1)=O |
| Synonyms | 958891-05-9,
3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid,
3-(3-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid,
AC1Q74AR,
SCHEMBL10388933,
CTK7J1325,
KS-00001ONI,
MFCD10686933,
AKOS009278605,
MCULE-8567074418,
NE14797,
EN300-36669,
Z372854150,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.176g/mol |
| Monoisotopic Mass | 209.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number