| CAS Number | 7310-74-9 |
| Catalog Number | AG003OX1(AGN-PC-09SY7K) |
| Chemical Name | Cinnamyltriphenylphosphonium Bromide |
| IUPAC Name | triphenyl(3-phenylprop-2-enyl)phosphanium;bromide |
| InChI | InChI=1S/C27H24P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-22H,23H2;1H/q+1;/p-1 |
| InChI Key | APIBROGXENTUGB-UHFFFAOYSA-M |
| MDL Number | MFCD00040767 |
| Molecular Formula | C27H24BrP |
| Molecular Weight | 459.3572 |
| SMILES | C1([P+](C2=CC=CC=C2)(C/C=C/C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1.[Br-] |
| Synonyms | Cinnamyltriphenylphosphonium bromide,
7310-74-9,
ACMC-209opi,
AC1MC5TV,
CTK5D7361,
Cinnamyltriphenylphosphoniumbromide,
APIBROGXENTUGB-UHFFFAOYSA-M,
ANW-36292,
Cinnamyl triphenylphosphonium bromide,
AKOS024318988,
MCULE-2457983020,
VA10597,
DB-055723,
FT-0604891,
triphenyl(3-phenylprop-2-enyl)phosphanium bromide,
Phosphonium,triphenyl(3-phenyl-2-propen-1-yl)-, bromide (1:1),
Cinnamyl triphenylphosphonium bromide,
ACN-042217,
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| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.367g/mol |
| Monoisotopic Mass | 458.08g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number