| CAS Number | 111198-09-5 |
| Catalog Number | AG00945M(AGN-PC-00JBTI) |
| Chemical Name | [(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride |
| IUPAC Name | benzotriazol-1-ylmethyl(triphenyl)phosphanium;chloride |
| InChI | InChI=1S/C25H21N3P.ClH/c1-4-12-21(13-5-1)29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)20-28-25-19-11-10-18-24(25)26-27-28;/h1-19H,20H2;1H/q+1;/p-1 |
| InChI Key | YEEGDMCFIRPFRB-UHFFFAOYSA-M |
| MDL Number | MFCD00960175 |
| Molecular Formula | C25H21ClN3P |
| Molecular Weight | 429.8811 |
| SMILES | c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cn1nnc2c1cccc2.[Cl-] |
| Synonyms | [(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium Chloride,
111198-09-5,
MFCD00960175,
B4486,
CID11988745,
Benzotriazol-1-ylmethyl-triphenyl-phosphanium Chloride,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.888g/mol |
| Monoisotopic Mass | 429.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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