| CAS Number | 100159-47-5 |
| Catalog Number | AG00013Z(AGN-PC-0MXNBF) |
| Chemical Name | 1-(benzyloxy)-1H-pyrazole |
| IUPAC Name | 1-phenylmethoxypyrazole |
| InChI | InChI=1S/C10H10N2O/c1-2-5-10(6-3-1)9-13-12-8-4-7-11-12/h1-8H,9H2 |
| InChI Key | XQEPQBYKPDAGIZ-UHFFFAOYSA-N |
| MDL Number | MFCD12026321 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | C(C1=CC=CC=C1)ON1N=CC=C1 |
| Synonyms | 1H-Pyrazole, 1-(phenylmethoxy)-,
100159-47-5,
1-(Benzyloxy)-1H-pyrazole,
1-(BENZYLOXY)PYRAZOLE,
N-benzyloxypyrazole,
1-benzyloxy-1H-pyrazole,
ACMC-20m38s,
SCHEMBL99339,
CTK0G9018,
DTXSID70434833,
XQEPQBYKPDAGIZ-UHFFFAOYSA-N,
ZINC34115605,
AKOS005263920,
CS-0080698,
1-phenylmethoxypyrazole,
CID10058015,
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| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number