| CAS Number | 1351595-63-5 |
| Catalog Number | AG01AQVF |
| Chemical Name | [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methanamine hydrochloride |
| IUPAC Name | [5-(2-fluorophenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride |
| InChI | InChI=1S/C10H9FN2O.ClH/c11-9-4-2-1-3-8(9)10-5-7(6-12)13-14-10;/h1-5H,6,12H2;1H |
| InChI Key | VPZAWSYRKGCRPX-UHFFFAOYSA-N |
| MDL Number | MFCD16660438 |
| Molecular Formula | C10H10ClFN2O |
| Molecular Weight | 228.6506 |
| SMILES | Cl.NCC1=NOC(C2=C(F)C=CC=C2)=C1 |
| Synonyms | 1351595-63-5,
[[5-(2-FLUOROPHENYL)ISOXAZOL-3-YL]METHYL]AMINE HYDROCHLORIDE,
{[5-(2-fluorophenyl)isoxazol-3-yl]methyl}amine hydrochloride,
AKOS026700137,
MCULE-4175387973,
F2135-0572,
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.651g/mol |
| Monoisotopic Mass | 228.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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