| CAS Number | 89282-38-2 |
| Catalog Number | AG00H2VI(AGN-PC-0WANIN) |
| Chemical Name | 5-Bromo-3-methoxypyrazin-2(1H)-one |
| IUPAC Name | 5-bromo-3-methoxy-1H-pyrazin-2-one |
| InChI | InChI=1S/C5H5BrN2O2/c1-10-5-4(9)7-2-3(6)8-5/h2H,1H3,(H,7,9) |
| InChI Key | GNGCWSJPQXPILY-UHFFFAOYSA-N |
| MDL Number | MFCD22200185 |
| Molecular Formula | C5H5BrN2O2 |
| Molecular Weight | 205.0094 |
| SMILES | O=C1C(OC)=NC(Br)=CN1 |
| Synonyms | 5-Bromo-3-methoxypyrazin-2(1H)-one,
89282-38-2,
5-Bromo-3-methoxypyrazin-2-ol,
AK165564,
SCHEMBL19193244,
KS-00000SUP,
MFCD22200185,
ZINC87493342,
5-Bromo-3-methoxy-1H-pyrazin-2-one,
5-Bromo-3-methoxy-2(1H)-pyrazinone,
AKOS025286029,
DS-9025,
FCH4009749,
SC-47745,
CS-0043017,
Y5646,
C5H5BrN2O2,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.011g/mol |
| Monoisotopic Mass | 203.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number