| CAS Number | 1599561-87-1 |
| Catalog Number | AG01DTTB |
| Chemical Name | 2-Chloro-4-methoxybenzo[d]oxazole |
| IUPAC Name | 2-chloro-4-methoxy-1,3-benzoxazole |
| InChI | InChI=1S/C8H6ClNO2/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3 |
| InChI Key | HRXPHUHPJIBQKX-UHFFFAOYSA-N |
| MDL Number | MFCD28803386 |
| Molecular Formula | C8H6ClNO2 |
| Molecular Weight | 183.5917 |
| SMILES | ClC=1OC2=C(N1)C(=CC=C2)OC |
| Synonyms | 2-Chloro-4-methoxybenzo[d]oxazole,
1599561-87-1,
MFCD28803386,
ZINC79065392,
AKOS027335875,
CS-W000748,
AS-48537,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.591g/mol |
| Monoisotopic Mass | 183.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number