| CAS Number | 852471-13-7 |
| Catalog Number | AG01C13G(AGN-PC-0OJSC6) |
| Chemical Name | 3-(benzyloxy)-1H-pyrazole |
| IUPAC Name | 5-phenylmethoxy-1H-pyrazole |
| InChI | InChI=1S/C10H10N2O/c1-2-4-9(5-3-1)8-13-10-6-7-11-12-10/h1-7H,8H2,(H,11,12) |
| InChI Key | LWXHLNHAYCDUGT-UHFFFAOYSA-N |
| MDL Number | MFCD29054864 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | C(C1=CC=CC=C1)OC1=NNC=C1 |
| Synonyms | 3-(benzyloxy)-1H-pyrazole,
852471-13-7,
phenylmethyloxydiazole,
SCHEMBL1386973,
ZINC79874666,
AKOS033816287,
Z2235789778,
5-(benzyloxy)-1H-pyrazole,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number