| CAS Number | 1006682-90-1 |
| Catalog Number | AG009LU0(AGN-PC-0WBBC0) |
| Chemical Name | 4-bromo-1-(2,2-diethoxyethyl)pyrazole |
| IUPAC Name | 4-bromo-1-(2,2-diethoxyethyl)pyrazole |
| InChI | InChI=1S/C9H15BrN2O2/c1-3-13-9(14-4-2)7-12-6-8(10)5-11-12/h5-6,9H,3-4,7H2,1-2H3 |
| InChI Key | SJEKPJLQKVGRCC-UHFFFAOYSA-N |
| MDL Number | MFCD08558462 |
| Molecular Formula | C9H15BrN2O2 |
| Molecular Weight | 263.1316 |
| SMILES | CCOC(OCC)CN1N=CC(Br)=C1 |
| Synonyms | 4-bromo-1-(2,2-diethoxyethyl)-1H-pyrazole,
1006682-90-1,
4-bromo-1-(2,2-diethoxyethyl)pyrazole,
2-(4-bromopyrazolyl)-1,1-diethoxyethane,
ALBB-014929,
ZX-AN013638,
MFCD08558462,
SBB024119,
STK351160,
ZINC12394947,
AKOS005167399,
MCULE-2406973373,
ST099320,
EN300-118609,
1H-pyrazole, 4-bromo-1-(2,2-diethoxyethyl)-,
T0202,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.135g/mol |
| Monoisotopic Mass | 262.032g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number