| CAS Number | 926238-10-0 |
| Catalog Number | AG019L7X(AGN-PC-0WO2YX) |
| Chemical Name | 5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)aniline |
| IUPAC Name | 5-chloro-2-(tetrazol-1-yl)aniline |
| InChI | InChI=1S/C7H6ClN5/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H,9H2 |
| InChI Key | UZPPFCNITSEALV-UHFFFAOYSA-N |
| MDL Number | MFCD03419538 |
| Molecular Formula | C7H6ClN5 |
| Molecular Weight | 195.6090 |
| SMILES | NC1=C(N2N=NN=C2)C=CC(Cl)=C1 |
| Synonyms | 5-chloro-2-(1H-tetrazol-1-yl)aniline,
5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)aniline,
Z235361317,
926238-10-0,
AC1Q50TI,
CTK6G8437,
ZINC6329744,
AKOS000129265,
MCULE-8014115730,
NE53084,
EN300-30393,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.61g/mol |
| Monoisotopic Mass | 195.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number