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76287-31-5 | Phosphonium,bis(3,3-dimethyl-1-butyn-1-yl)phenyl(phenylmethyl)-, bromide (1:1)
CAS No: 76287-31-5 Catalog No: AG0056X6 MDL No:
Product Description
Catalog Number:
AG0056X6
Chemical Name:
Phosphonium,bis(3,3-dimethyl-1-butyn-1-yl)phenyl(phenylmethyl)-, bromide (1:1)
CAS Number:
76287-31-5
Molecular Formula:
C25H30P+
Molecular Weight:
361.4795
IUPAC Name:
benzyl-bis(3,3-dimethylbut-1-ynyl)-phenylphosphanium
InChI:
InChI=1S/C25H30P/c1-24(2,3)17-19-26(20-18-25(4,5)6,23-15-11-8-12-16-23)21-22-13-9-7-10-14-22/h7-16H,21H2,1-6H3/q+1
InChI Key:
MZPHJEJWCUDUJF-UHFFFAOYSA-N
SMILES:
CC(C#C[P+](c1ccccc1)(Cc1ccccc1)C#CC(C)(C)C)(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.209g/mol
Formal Charge:
1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.489g/mol
Monoisotopic Mass:
361.209g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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