| CAS Number | 1446332-73-5 |
| Catalog Number | AG001JW2(AGN-PC-0JK2AJ) |
| Chemical Name | 2-Benzoxazoleacetic acid, 4-chloro-, ethyl ester |
| IUPAC Name | ethyl 2-(4-chloro-1,3-benzoxazol-2-yl)acetate |
| InChI | InChI=1S/C11H10ClNO3/c1-2-15-10(14)6-9-13-11-7(12)4-3-5-8(11)16-9/h3-5H,2,6H2,1H3 |
| InChI Key | WEGKCVYCZQSJLF-UHFFFAOYSA-N |
| MDL Number | MFCD26407202 |
| Molecular Formula | C11H10ClNO3 |
| Molecular Weight | 239.6550 |
| SMILES | ClC1=CC=CC2=C1N=C(O2)CC(=O)OCC |
| Synonyms | ETHYL 2-(4-CHLOROBENZO[D]OXAZOL-2-YL)ACETATE,
1446332-73-5,
2-Benzoxazoleacetic acid, 4-chloro-, ethyl ester,
SCHEMBL15066674,
WEGKCVYCZQSJLF-UHFFFAOYSA-N,
MFCD26407202,
ZINC95835894,
Ethyl 4-chlorobenzo[d]oxazole-2-acetate,
AS-42388,
X-2374,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.655g/mol |
| Monoisotopic Mass | 239.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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