| CAS Number | 4402-78-2 |
| Catalog Number | AG01BH67 |
| Chemical Name | 3-(2,4-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C11H7Cl2NO3/c1-5-9(11(15)16)10(14-17-5)7-3-2-6(12)4-8(7)13/h2-4H,1H3,(H,15,16) |
| InChI Key | DAGSZCZSBHHHSW-UHFFFAOYSA-N |
| MDL Number | MFCD07376111 |
| Molecular Formula | C11H7Cl2NO3 |
| Molecular Weight | 272.0842 |
| SMILES | CC1=C(C(O)=O)C(C2=C(Cl)C=C(Cl)C=C2)=NO1 |
| Synonyms | 3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid,
4402-78-2,
ZINC19948266,
AKOS013476612,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.081g/mol |
| Monoisotopic Mass | 270.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Lot Number