| CAS Number | 99595-73-0 |
| Catalog Number | AG01B1G5(AGN-PC-04PBPL) |
| Chemical Name | 1-(4-Aminophenyl)-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one |
| IUPAC Name | 4-(4-aminophenyl)-1H-tetrazol-5-one |
| InChI | InChI=1S/C7H7N5O/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,8H2,(H,9,11,13) |
| InChI Key | OKAOEKKGMDHTRG-UHFFFAOYSA-N |
| MDL Number | MFCD09808298 |
| Molecular Formula | C7H7N5O |
| Molecular Weight | 177.1634 |
| SMILES | NC1=CC=C(C=C1)N1N=NNC1=O |
| Synonyms | 1-(4-aminophenyl)-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one,
99595-73-0,
ZINC19413983,
AKOS000163618,
MCULE-4110184388,
NE18044,
5H-Tetrazol-5-one, 1-(4-aminophenyl)-1,2-dihydro-,
Z1815155464,
1-(4-aminophenyl)-2,5-dihydro-1H-1,2,3,4-tetrazol-5-one,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.167g/mol |
| Monoisotopic Mass | 177.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number