| CAS Number | 26668-55-3 |
| Catalog Number | AG01BP4C(AGN-PC-0O8FRL) |
| Chemical Name | 4-chloro-2-(1H-1,2,3,4-tetrazol-5-yl)aniline |
| IUPAC Name | 4-chloro-2-(2H-tetrazol-5-yl)aniline |
| InChI | InChI=1S/C7H6ClN5/c8-4-1-2-6(9)5(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13) |
| InChI Key | BUSUUPIMJLVUGH-UHFFFAOYSA-N |
| MDL Number | MFCD01219571 |
| Molecular Formula | C7H6ClN5 |
| Molecular Weight | 195.6090 |
| SMILES | NC1=C(C2NN=NN=2)C=C(Cl)C=C1 |
| Synonyms | 26668-55-3,
4-CHLORO-2-(1H-1,2,3,4-TETRAZOL-5-YL)ANILINE,
4-chloro-2-(1H-tetrazol-5-yl)-aniline,
SCHEMBL1463479,
SCHEMBL19554299,
BUSUUPIMJLVUGH-UHFFFAOYSA-N,
ZINC34215943,
AKOS022645195,
4-Chloro-2-(1H-tetrazol-5-yl)-phenylamine,
4-chloro-2-(2H-1,2,3,4-tetrazol-5-yl)aniline,
A1-11953,
4-chloro-2-(2H-tetrazol-5-yl)aniline,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.61g/mol |
| Monoisotopic Mass | 195.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number