| CAS Number | 1094265-93-6 |
| Catalog Number | AG019W6Z(AGN-PC-0WO3TP) |
| Chemical Name | 5-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]tetrazole |
| InChI | InChI=1S/C9H6ClF3N4/c10-5-8-14-15-16-17(8)7-3-1-6(2-4-7)9(11,12)13/h1-4H,5H2 |
| InChI Key | BGMCBLPBPUTNCH-UHFFFAOYSA-N |
| MDL Number | MFCD11134247 |
| Molecular Formula | C9H6ClF3N4 |
| Molecular Weight | 262.6189 |
| SMILES | FC(C1=CC=C(N2C(CCl)=NN=N2)C=C1)(F)F |
| Synonyms | 5-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole,
1094265-93-6,
SCHEMBL324352,
AC1Q4J34,
CTK6H7098,
BGMCBLPBPUTNCH-UHFFFAOYSA-N,
ZINC36138822,
AKOS005198441,
MCULE-7164675425,
NE27168,
EN300-50858,
5-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]-1H-tetrazole,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.62g/mol |
| Monoisotopic Mass | 262.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number