| CAS Number | 121562-08-1 |
| Catalog Number | AG00159K(AGN-PC-0WB5QW) |
| Chemical Name | 1,2,4-Oxadiazole, 3-bromo-5-cyclopropyl- |
| IUPAC Name | 3-bromo-5-cyclopropyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C5H5BrN2O/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2 |
| InChI Key | SKWIAZWIYKVAIP-UHFFFAOYSA-N |
| MDL Number | MFCD12827917 |
| Molecular Formula | C5H5BrN2O |
| Molecular Weight | 189.0100 |
| SMILES | BrC1=NOC(C2CC2)=N1 |
| Synonyms | 3-bromo-5-cyclopropyl-1,2,4-oxadiazole,
121562-08-1,
1,2,4-oxadiazole, 3-bromo-5-cyclopropyl-,
AC1NT4GY,
ALBB-026655,
MFCD12827917,
ZINC33834951,
AKOS015917656,
AJ-86354,
DB-002501,
FT-0767091,
Y-7305,
I14-9694,
InChI=1/C5H5BrN2O/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H,
CID5323966,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.012g/mol |
| Monoisotopic Mass | 187.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
|
Certificate of Analysis
Lot Number