| CAS Number | 1118787-16-8 |
| Catalog Number | AG018SEA(AGN-PC-0WBQDS) |
| Chemical Name | 3-(4-fluorophenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propanoic acid |
| IUPAC Name | 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoic acid |
| InChI | InChI=1S/C11H11FN4O2/c1-7-13-14-15-16(7)10(11(17)18)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,17,18) |
| InChI Key | HGXHEJIMLZVGRV-UHFFFAOYSA-N |
| MDL Number | MFCD11857907 |
| Molecular Formula | C11H11FN4O2 |
| Molecular Weight | 250.2290 |
| SMILES | CC1N(C(C(O)=O)CC2=CC=C(F)C=C2)N=NN=1 |
| Synonyms | 3-(4-fluorophenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propanoic acid,
1118787-16-8,
3-(4-fluorophenyl)-2-(5-methyl-1,2,3,4-tetrazol-1-yl)propanoic acid,
AC1Q2Q06,
CTK7I4840,
AKOS026677344,
MCULE-4268385307,
NE20945,
EN300-42512,
F8889-9230,
Z432066902,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.233g/mol |
| Monoisotopic Mass | 250.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number