| CAS Number | 91678-74-9 |
| Catalog Number | AG006EGP(AGN-PC-00M1HS) |
| Chemical Name | 2-Bromo-3,5-dimethylpyrazine |
| IUPAC Name | 2-bromo-3,5-dimethylpyrazine |
| InChI | InChI=1S/C6H7BrN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3 |
| InChI Key | AGCIADOQTBDMMP-UHFFFAOYSA-N |
| MDL Number | MFCD18250493 |
| Molecular Formula | C6H7BrN2 |
| Molecular Weight | 187.0372 |
| SMILES | Cc1cnc(c(n1)C)Br |
| Synonyms | 2-BROMO-3,5-DIMETHYLPYRAZINE,
91678-74-9,
Pyrazine, 2-bromo-3,5-dimethyl-,
ACMC-20lusu,
SCHEMBL10925625,
CTK3G3790,
DTXSID10536704,
ZINC84324371,
AKOS023413202,
AB73101,
|
| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.04g/mol |
| Monoisotopic Mass | 185.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2810
|
Certificate of Analysis
Lot Number