| CAS Number | 1252185-47-9 |
| Catalog Number | AG01A9WP(AGN-PC-0WOQFG) |
| Chemical Name | 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide |
| IUPAC Name | 2-bromo-1-(1-methylpyrazol-4-yl)ethanone;hydrobromide |
| InChI | InChI=1S/C6H7BrN2O.BrH/c1-9-4-5(3-8-9)6(10)2-7;/h3-4H,2H2,1H3;1H |
| InChI Key | IZURTEFMHTXRFP-UHFFFAOYSA-N |
| MDL Number | MFCD21602404 |
| Molecular Formula | C6H8Br2N2O |
| Molecular Weight | 283.9485 |
| SMILES | Br.CN1N=CC(C(CBr)=O)=C1 |
| Synonyms | 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide,
1252185-47-9,
2-Bromo-1-(1-methyl-1H-pyrazol-4-yl)-ethanone hydrobromide,
SCHEMBL16212289,
IZURTEFMHTXRFP-UHFFFAOYSA-N,
MFCD21602404,
AKOS008122399,
MCULE-4123798431,
NE16732,
2-Bromo-1-(1-methyl-1H-pyrazol-4-yl)ethanone hydrobromide,
706819-66-1,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.951g/mol |
| Monoisotopic Mass | 281.9g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number