| CAS Number | 90507-32-7 |
| Catalog Number | AG00J2QT(AGN-PC-02KQ4V) |
| Chemical Name | 3-(bromomethyl)-4-methyl-1,2,5-oxadiazole |
| IUPAC Name | 3-(bromomethyl)-4-methyl-1,2,5-oxadiazole |
| InChI | InChI=1S/C4H5BrN2O/c1-3-4(2-5)7-8-6-3/h2H2,1H3 |
| InChI Key | FLEQPQKCOOUUOW-UHFFFAOYSA-N |
| MDL Number | MFCD18785611 |
| Molecular Formula | C4H5BrN2O |
| Molecular Weight | 176.9993 |
| SMILES | C1(CBr)C(C)=NON=1 |
| Synonyms | 3-(bromomethyl)-4-methyl-1,2,5-oxadiazole,
90507-32-7,
SCHEMBL9873904,
FLEQPQKCOOUUOW-UHFFFAOYSA-N,
ALBB-021480,
2757AF,
MFCD18785611,
ZINC62152180,
AKOS015997846,
BS-12952,
CS-0080396,
EN300-75977,
Y-7962,
1,2,5-Oxadiazole, 3-(bromomethyl)-4-methyl-,
S14-2191,
C4H5BrN2O,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.001g/mol |
| Monoisotopic Mass | 175.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number