| CAS Number | 1038696-41-1 |
| Catalog Number | AG019VFQ |
| Chemical Name | 3-(2,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C10H7Cl2NO3/c11-5-1-2-6(7(12)3-5)8-4-9(10(14)15)16-13-8/h1-3,9H,4H2,(H,14,15) |
| InChI Key | LSJWMFZQRLHGFI-UHFFFAOYSA-N |
| MDL Number | MFCD11203720 |
| Molecular Formula | C10H7Cl2NO3 |
| Molecular Weight | 260.0735 |
| SMILES | OC(C1ON=C(C2=C(Cl)C=C(Cl)C=C2)C1)=O |
| Synonyms | 3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid,
1038696-41-1,
AC1Q74AQ,
SCHEMBL10389746,
CTK7J1323,
AKOS009282821,
MCULE-7065115117,
NE15117,
EN300-45125,
Z594038426,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.07g/mol |
| Monoisotopic Mass | 258.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number