| CAS Number | 73552-42-8 |
| Catalog Number | AG005D3E(AGN-PC-0KRON9) |
| Chemical Name | 2-(2-bromophenyl)-1,3-benzoxazole |
| IUPAC Name | 2-(2-bromophenyl)-1,3-benzoxazole |
| InChI | InChI=1S/C13H8BrNO/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H |
| InChI Key | IAOINCALAKEDML-UHFFFAOYSA-N |
| MDL Number | MFCD00168891 |
| Molecular Formula | C13H8BrNO |
| Molecular Weight | 274.1127 |
| SMILES | BrC1=CC=CC=C1C2=NC3=CC=CC=C3O2 |
| Synonyms | 2-(2-bromophenyl)-1,3-benzoxazole,
73552-42-8,
2-(2-Bromophenyl)benzo[d]oxazole,
AC1MM3FN,
2-(2-Bromophenyl)benzoxazole,
SCHEMBL7743334,
CTK5D8190,
DTXSID70390980,
CHEMBRDG-BB 4010238,
ZINC3101846,
ZX-CM003378,
MFCD00168891,
AKOS003264018,
AJ-44465,
W-6593,
2-(2-bromophenyl)benzooxazole,
CHEMBRDG-BB4010238,
ACN-041945,
CID3279748,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.117g/mol |
| Monoisotopic Mass | 272.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number