| CAS Number | 1204-91-7 |
| Catalog Number | AG007PXP(AGN-PC-00L0ZB) |
| Chemical Name | 1H-1,2,3-Triazole, 1-(4-nitrophenyl)- |
| IUPAC Name | 1-(4-nitrophenyl)triazole |
| InChI | InChI=1S/C8H6N4O2/c13-12(14)8-3-1-7(2-4-8)11-6-5-9-10-11/h1-6H |
| InChI Key | ZJBBZUJIVMYQNQ-UHFFFAOYSA-N |
| MDL Number | MFCD22054469 |
| Molecular Formula | C8H6N4O2 |
| Molecular Weight | 190.1588 |
| SMILES | O=[N+](C1=CC=C(N2N=NC=C2)C=C1)[O-] |
| Synonyms | 1-(4-nitrophenyl)-1h-1,2,3-triazole,
1204-91-7,
1H-1,2,3-Triazole, 1-(4-nitrophenyl)-,
SCHEMBL1260021,
CTK0F8848,
DTXSID10520148,
MFCD22054469,
ZINC39401602,
AS-40025,
1-(4-NITROPHENYL)-1,2,3-TRIAZOLE,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.162g/mol |
| Monoisotopic Mass | 190.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number