| CAS Number | 26502-55-6 |
| Catalog Number | AG00J7YC(AGN-PC-0JVJDI) |
| Chemical Name | ethyl 4-hydroxy-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 4-hydroxy-1-(4-nitrophenyl)pyrazole-3-carboxylate |
| InChI | InChI=1S/C12H11N3O5/c1-2-20-12(17)11-10(16)7-14(13-11)8-3-5-9(6-4-8)15(18)19/h3-7,16H,2H2,1H3 |
| InChI Key | YCORTVKYQADVAR-UHFFFAOYSA-N |
| MDL Number | MFCD01917145 |
| Molecular Formula | C12H11N3O5 |
| Molecular Weight | 277.2328 |
| SMILES | CCOC(C1C(O)=CN(C2=CC=C([N+]([O-])=O)C=C2)N=1)=O |
| Synonyms | ethyl 4-hydroxy-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylate,
26502-55-6,
ethyl 4-hydroxy-1-(4-nitrophenyl)pyrazole-3-carboxylate,
AC1LDYVY,
Oprea1_373610,
MLS000775268,
AC1Q34F7,
CHEMBL1595151,
ethyl 4-hydroxy-1-(p-nitrophenyl)pyrazole-3-carboxylate,
CTK6F7634,
HMS2770O11,
ZINC96055647,
AKOS001026478,
MCULE-5572558915,
NE23792,
SMR000368355,
ST50049828,
EN300-39426,
Z56778742,
CID727572,
ZINC00137066,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.236g/mol |
| Monoisotopic Mass | 277.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number