| CAS Number | 217326-69-7 |
| Catalog Number | AG00BIFI(AGN-PC-0WAKCL) |
| Chemical Name | 4-BroMo-2-Methyl-1,3-benzoxazole |
| IUPAC Name | 4-bromo-2-methyl-1,3-benzoxazole |
| InChI | InChI=1S/C8H6BrNO/c1-5-10-8-6(9)3-2-4-7(8)11-5/h2-4H,1H3 |
| InChI Key | PCDOABUEJUJMKB-UHFFFAOYSA-N |
| MDL Number | MFCD25978059 |
| Molecular Formula | C8H6BrNO |
| Molecular Weight | 212.0433 |
| SMILES | Cc1oc2c(n1)c(Br)ccc2 |
| Synonyms | 4-Bromo-2-methylbenzo[d]oxazole,
217326-69-7,
4-bromo-2-methyl-1,3-benzoxazole,
4-bromo-2-methylBenzoxazole,
SCHEMBL5536407,
Benzoxazole, 4-bromo-2-methyl-,
MFCD25978059,
ZINC95944452,
AS-47423,
DA-08147,
FT-0717038,
V4387,
C8H6BrNO,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.046g/mol |
| Monoisotopic Mass | 210.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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