| CAS Number | 1820674-75-6 |
| Catalog Number | AG00I0S3(AGN-PC-0WR7FS) |
| Chemical Name | 7-bromo-4-methoxy-1,3-benzoxazol-2-amine |
| IUPAC Name | 7-bromo-4-methoxy-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C8H7BrN2O2/c1-12-5-3-2-4(9)7-6(5)11-8(10)13-7/h2-3H,1H3,(H2,10,11) |
| InChI Key | FWJZZGUANNDQLF-UHFFFAOYSA-N |
| MDL Number | MFCD27936892 |
| Molecular Formula | C8H7BrN2O2 |
| Molecular Weight | 243.0574 |
| SMILES | COc1ccc(c2c1nc(o2)N)Br |
| Synonyms | 7-BROMO-4-METHOXY-1,3-BENZOXAZOL-2-AMINE,
1820674-75-6,
ZINC97757426,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.06g/mol |
| Monoisotopic Mass | 241.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number