| CAS Number | 1247830-45-0 |
| Catalog Number | AG00HHSG(AGN-PC-0WO6D1) |
| Chemical Name | 7-Bromo-5-chloro-1,3-benzoxazol-2-amine |
| IUPAC Name | 7-bromo-5-chloro-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C7H4BrClN2O/c8-4-1-3(9)2-5-6(4)12-7(10)11-5/h1-2H,(H2,10,11) |
| InChI Key | BOHZBFNIVHFFAC-UHFFFAOYSA-N |
| MDL Number | MFCD16742786 |
| Molecular Formula | C7H4BrClN2O |
| Molecular Weight | 247.4765 |
| SMILES | NC1OC2=C(C=C(C=C2Br)Cl)N=1 |
| Synonyms | 7-bromo-5-chloro-1,3-benzoxazol-2-amine,
1247830-45-0,
ZINC52066085,
AKOS011654946,
MCULE-7161937326,
NE28049,
7-Bromo-5-chlorobenzo[d]oxazol-2-amine,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.476g/mol |
| Monoisotopic Mass | 245.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number