| CAS Number | 1240528-28-2 |
| Catalog Number | AG01A9QR |
| Chemical Name | (2,5-difluorophenyl)(1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride |
| IUPAC Name | (2,5-difluorophenyl)-(2H-tetrazol-5-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H7F2N5.ClH/c9-4-1-2-6(10)5(3-4)7(11)8-12-14-15-13-8;/h1-3,7H,11H2,(H,12,13,14,15);1H |
| InChI Key | PKCDQOOSQQIYDA-UHFFFAOYSA-N |
| MDL Number | MFCD16622197 |
| Molecular Formula | C8H8ClF2N5 |
| Molecular Weight | 247.6324 |
| SMILES | Cl.NC(C1=C(F)C=CC(F)=C1)C1NN=NN=1 |
| Synonyms | (2,5-difluorophenyl)(1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride,
1240528-28-2,
AC1Q3CU8,
AKOS008147931,
MCULE-9300556487,
NE37492,
EN300-65859,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.634g/mol |
| Monoisotopic Mass | 247.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number