| CAS Number | 1390655-01-2 |
| Catalog Number | AG00J11T |
| Chemical Name | {[1-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}amine hydrochloride |
| IUPAC Name | [1-(3-fluorophenyl)pyrazol-4-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C10H10FN3.ClH/c11-9-2-1-3-10(4-9)14-7-8(5-12)6-13-14;/h1-4,6-7H,5,12H2;1H |
| InChI Key | XFKCONJKPIJIOV-UHFFFAOYSA-N |
| MDL Number | MFCD09864238 |
| Molecular Formula | C10H11ClFN3 |
| Molecular Weight | 227.6658 |
| SMILES | N1(C2=CC=CC(F)=C2)C=C(C=N1)CN.Cl |
| Synonyms | {[1-(3-fluorophenyl)-1h-pyrazol-4-yl]methyl}amine hydrochloride,
1390655-01-2,
ZX-CM002600,
MFCD09864238,
1-[1-(3-Fluorophenyl)-1H-pyrazol-4-yl]methanamine hydrochloride, AldrichCPR,
1177318-23-8,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.667g/mol |
| Monoisotopic Mass | 227.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number