| CAS Number | 142620-97-1 |
| Catalog Number | AG019NFG(AGN-PC-043BSG) |
| Chemical Name | {[4-(Carboxymethyl)phenyl]methyl}triphenylphosphanium bromide |
| IUPAC Name | [4-(carboxymethyl)phenyl]methyl-triphenylphosphanium;bromide |
| InChI | InChI=1S/C27H23O2P.BrH/c28-27(29)20-22-16-18-23(19-17-22)21-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-19H,20-21H2;1H |
| InChI Key | HPFCLDHQJUNWQD-UHFFFAOYSA-N |
| MDL Number | MFCD11505574 |
| Molecular Formula | C27H24BrO2P |
| Molecular Weight | 491.3560 |
| SMILES | [Br-].OC(CC1=CC=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1)=O |
| Synonyms | {[4-(carboxymethyl)phenyl]methyl}triphenylphosphanium bromide,
142620-97-1,
[4-(carboxymethyl)benzyl](triphenyl)phosphonium bromide,
AC1Q1RJK,
SCHEMBL3929846,
HPFCLDHQJUNWQD-UHFFFAOYSA-N,
AKOS030703465,
MCULE-7032508521,
NE40980,
EN300-40276,
[4-(carboxymethyl)-benzyl](triphenyl)phosphonium bromide,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 490.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 491.365g/mol |
| Monoisotopic Mass | 490.07g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number