| CAS Number | 1820650-88-1 |
| Catalog Number | AG00I0PD |
| Chemical Name | 5-Chloro-6-methyl-1,3-benzoxazol-2-amine |
| IUPAC Name | 5-chloro-6-methyl-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C8H7ClN2O/c1-4-2-7-6(3-5(4)9)11-8(10)12-7/h2-3H,1H3,(H2,10,11) |
| InChI Key | QYGAASCFAOZYHJ-UHFFFAOYSA-N |
| MDL Number | MFCD28101661 |
| Molecular Formula | C8H7ClN2O |
| Molecular Weight | 182.6070 |
| SMILES | Nc1oc2c(n1)cc(c(c2)C)Cl |
| Synonyms | 5-Chloro-6-methylbenzo[d]oxazol-2-amine,
1820650-88-1,
ZINC169726174,
5-CHLORO-6-METHYL-1,3-BENZOXAZOL-2-AMINE,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.607g/mol |
| Monoisotopic Mass | 182.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number