| CAS Number | 1177290-00-4 |
| Catalog Number | AG01ARBR |
| Chemical Name | [1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methanamine hydrochloride |
| IUPAC Name | [1-(4-fluorophenyl)tetrazol-5-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C8H8FN5.ClH/c9-6-1-3-7(4-2-6)14-8(5-10)11-12-13-14;/h1-4H,5,10H2;1H |
| InChI Key | QZFNYJPSEOIVEU-UHFFFAOYSA-N |
| MDL Number | MFCD09743261 |
| Molecular Formula | C8H9ClFN5 |
| Molecular Weight | 229.6420 |
| SMILES | Cl.NCC1N(C2=CC=C(F)C=C2)N=NN=1 |
| Synonyms | 1177290-00-4,
{[1-(4-Fluorophenyl)-1H-tetrazol-5-yl]methyl}amine hydrochloride,
([1-(4-FLUOROPHENYL)-1H-TETRAZOL-5-YL]METHYL)AMINE HYDROCHLORIDE,
AKOS023552880,
MCULE-4462671969,
L-4082,
F2147-0083,
[1-(4-fluorophenyl)tetrazol-5-yl]methanamine;hydrochloride,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.643g/mol |
| Monoisotopic Mass | 229.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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