| CAS Number | 108805-37-4 |
| Catalog Number | AG01BU7Z |
| Chemical Name | 5-chloro-1,2-benzoxazole-3-carboxylic acid |
| IUPAC Name | 5-chloro-1,2-benzoxazole-3-carboxylic acid |
| InChI | InChI=1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(8(11)12)10-13-6/h1-3H,(H,11,12) |
| InChI Key | KUDYWISGEFWOJH-UHFFFAOYSA-N |
| MDL Number | MFCD30731611 |
| Molecular Formula | C8H4ClNO3 |
| Molecular Weight | 197.5753 |
| SMILES | OC(C1C2=C(C=CC(=C2)Cl)ON=1)=O |
| Synonyms | 5-chloro-1,2-benzoxazole-3-carboxylic acid,
108805-37-4,
ZINC82910917,
AKOS022918623,
Z2798559790,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.574g/mol |
| Monoisotopic Mass | 196.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number