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1702-41-6 | Phosphonium,[(3-methylphenyl)methyl]triphenyl-, bromide (1:1)
CAS No: 1702-41-6 Catalog No: AG0078WQ MDL No:
Product Description
Catalog Number:
AG0078WQ
Chemical Name:
Phosphonium,[(3-methylphenyl)methyl]triphenyl-, bromide (1:1)
CAS Number:
1702-41-6
Molecular Formula:
C26H24P
Molecular Weight:
367.4425
IUPAC Name:
(3-methylphenyl)methyl-triphenylphosphanium
InChI:
InChI=1S/C26H24P/c1-22-12-11-13-23(20-22)21-27(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-20H,21H2,1H3/q+1
InChI Key:
XKZWSRYFZIVDSZ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CP(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.162g/mol
Formal Charge:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.452g/mol
Monoisotopic Mass:
367.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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