| CAS Number | 13895-08-4 |
| Catalog Number | AG0019X3(AGN-PC-0D24MT) |
| Chemical Name | 2-Benzoxazolamine, 6-methoxy- |
| IUPAC Name | 6-methoxy-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C8H8N2O2/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10) |
| InChI Key | WQMHWUZZUTWZSC-UHFFFAOYSA-N |
| MDL Number | MFCD16036404 |
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.1613 |
| SMILES | COC1=CC2=C(N=C(O2)N)C=C1 |
| Synonyms | 13895-08-4,
6-METHOXYBENZO[D]OXAZOL-2-AMINE,
6-methoxy-1,3-benzoxazol-2-amine,
6-Methoxyl-2-aminobenzoxazol,
2-Benzoxazolamine, 6-methoxy-,
6-methoxy-2-aminobenzoxazole,
SCHEMBL558021,
DTXSID10732643,
WQMHWUZZUTWZSC-UHFFFAOYSA-N,
MFCD16036404,
ZINC91689980,
AS-36204,
SC-14666,
AJ-131859,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.164g/mol |
| Monoisotopic Mass | 164.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number