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18880-06-3 | Phosphonium, [[4-(1,1-dimethylethyl)phenyl]methyl]triphenyl-, chloride (1:1)
CAS No: 18880-06-3 Catalog No: AG002HD2 MDL No:
Product Description
Catalog Number:
AG002HD2
Chemical Name:
Phosphonium, [[4-(1,1-dimethylethyl)phenyl]methyl]triphenyl-, chloride (1:1)
CAS Number:
18880-06-3
Molecular Formula:
C29H30ClP
Molecular Weight:
444.9753
IUPAC Name:
(4-tert-butylphenyl)methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C29H30P.ClH/c1-29(2,3)25-21-19-24(20-22-25)23-30(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28;/h4-22H,23H2,1-3H3;1H/q+1;/p-1
InChI Key:
AZWHQQNGJCOFRH-UHFFFAOYSA-M
SMILES:
CC(c1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C)C.[Cl-]
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.177g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.983g/mol
Monoisotopic Mass:
444.177g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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