| CAS Number | 25688-18-0 |
| Catalog Number | AG00BJOO(AGN-PC-0NHSEC) |
| Chemical Name | 1-(3-Nitrophenyl)-1H-pyrazole |
| IUPAC Name | 1-(3-nitrophenyl)pyrazole |
| InChI | InChI=1S/C9H7N3O2/c13-12(14)9-4-1-3-8(7-9)11-6-2-5-10-11/h1-7H |
| InChI Key | WTFRZFHXSRGFQB-UHFFFAOYSA-N |
| MDL Number | MFCD12192642 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | [O-][N+](C1=CC(N2N=CC=C2)=CC=C1)=O |
| Synonyms | 1-(3-nitrophenyl)-1H-pyrazole,
25688-18-0,
PubChem23687,
1-(3-Nitrophenyl)pyrazol,
SCHEMBL2643542,
KS-00000PFC,
DTXSID10477582,
WTFRZFHXSRGFQB-UHFFFAOYSA-N,
ACN-P000834,
MFCD12192642,
ZINC35728291,
AKOS009582339,
AJ-92084,
AK139749,
ST2403164,
4CH-017100,
I14-15847,
Z1723547104,
1H-Pyrazole, 1-(3-nitrophenyl)-,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H317-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number