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13751-90-1

13751-90-1 | Phosphonium, (1-methylhexyl)triphenyl-, bromide (1:1)

CAS No: 13751-90-1 Catalog No: AG0013GN MDL No:

Product Description

Catalog Number:
AG0013GN
Chemical Name:
Phosphonium, (1-methylhexyl)triphenyl-, bromide (1:1)
CAS Number:
13751-90-1
Molecular Formula:
C25H30BrP
Molecular Weight:
441.3835
IUPAC Name:
heptan-2-yl(triphenyl)phosphanium
InChI:
InChI=1S/C25H30P/c1-3-4-8-15-22(2)26(23-16-9-5-10-17-23,24-18-11-6-12-19-24)25-20-13-7-14-21-25/h5-7,9-14,16-22H,3-4,8,15H2,1-2H3/q+1
InChI Key:
MMSXRMQYGVEERB-UHFFFAOYSA-N
SMILES:
CCCCCC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]

Properties

Complexity:
326  
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:
8  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  

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