| CAS Number | 1342757-33-8 |
| Catalog Number | AG00HTA3(AGN-PC-0WO2SC) |
| Chemical Name | 2-(1H-pyrazol-4-yl)aniline |
| IUPAC Name | 2-(1H-pyrazol-4-yl)aniline |
| InChI | InChI=1S/C9H9N3/c10-9-4-2-1-3-8(9)7-5-11-12-6-7/h1-6H,10H2,(H,11,12) |
| InChI Key | WAAANSCCPITGMD-UHFFFAOYSA-N |
| MDL Number | MFCD18334322 |
| Molecular Formula | C9H9N3 |
| Molecular Weight | 159.1879 |
| SMILES | NC1=CC=CC=C1C2=CNN=C2 |
| Synonyms | 2-(1H-pyrazol-4-yl)aniline,
1342757-33-8,
SCHEMBL20468195,
ZINC70994375,
AKOS012642973,
NE16283,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.192g/mol |
| Monoisotopic Mass | 159.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number