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148296-40-6 | Phosphonium, (12-carboxydodecyl)triphenyl-, bromide (1:1)
CAS No: 148296-40-6 Catalog No: AG001FKP MDL No:
Product Description
Catalog Number:
AG001FKP
Chemical Name:
Phosphonium, (12-carboxydodecyl)triphenyl-, bromide (1:1)
CAS Number:
148296-40-6
Molecular Formula:
C31H40BrO2P
Molecular Weight:
555.5259
IUPAC Name:
12-carboxydodecyl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C31H39O2P.BrH/c32-31(33)26-18-7-5-3-1-2-4-6-8-19-27-34(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30;/h9-17,20-25H,1-8,18-19,26-27H2;1H
InChI Key:
LLWOLYYGEADYSX-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.195g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
555.537g/mol
Monoisotopic Mass:
554.195g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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