| CAS Number | 1022318-67-7 |
| Catalog Number | AG01AB3S |
| Chemical Name | 4-(2-Nitrophenyl)-1H-pyrazole |
| IUPAC Name | 4-(2-nitrophenyl)-1H-pyrazole |
| InChI | InChI=1S/C9H7N3O2/c13-12(14)9-4-2-1-3-8(9)7-5-10-11-6-7/h1-6H,(H,10,11) |
| InChI Key | YHKKJSANXASGJT-UHFFFAOYSA-N |
| MDL Number | MFCD03647058 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | O=[N+](C1=CC=CC=C1C2=CNN=C2)[O-] |
| Synonyms | 4-(2-nitrophenyl)-1H-pyrazole,
1022318-67-7,
AC1MT3QM,
4-(2-nitrophenyl)pyrazole,
SCHEMBL6367605,
YHKKJSANXASGJT-UHFFFAOYSA-N,
ZINC1504802,
AKOS006282960,
MCULE-2436869276,
NE29007,
Z1649893372,
CID3544473,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number