| CAS Number | 294877-39-7 |
| Catalog Number | AG019VT4(AGN-PC-04PFN3) |
| Chemical Name | 1-(4-Bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C12H11BrN2O/c1-8-12(7-16)9(2)15(14-8)11-5-3-10(13)4-6-11/h3-7H,1-2H3 |
| InChI Key | NXNTWHLCEXLMEX-UHFFFAOYSA-N |
| MDL Number | MFCD09932059 |
| Molecular Formula | C12H11BrN2O |
| Molecular Weight | 279.1325 |
| SMILES | CC1C(C=O)=C(C)N(C2=CC=C(Br)C=C2)N=1 |
| Synonyms | 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde,
294877-39-7,
1-(4-Bromo-phenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde,
AC1Q2PJO,
SCHEMBL4239043,
CTK7H8023,
NXNTWHLCEXLMEX-UHFFFAOYSA-N,
1H-Pyrazole-4-carboxaldehyde, 1-(4-bromophenyl)-3,5-dimethyl-,
BBL022567,
MFCD09932059,
STL199569,
ZINC19433911,
AKOS000175694,
MCULE-9784834021,
H0325,
EN300-49109,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.137g/mol |
| Monoisotopic Mass | 278.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number