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26487-84-3 | Phosphonium, (3,3-dimethyl-2-oxobutyl)triphenyl-, bromide (1:1)
CAS No: 26487-84-3 Catalog No: AG002TF6 MDL No:
Product Description
Catalog Number:
AG002TF6
Chemical Name:
Phosphonium, (3,3-dimethyl-2-oxobutyl)triphenyl-, bromide (1:1)
CAS Number:
26487-84-3
Molecular Formula:
C24H26BrOP
Molecular Weight:
441.3404
IUPAC Name:
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium;bromide
InChI:
InChI=1S/C24H26OP.BrH/c1-24(2,3)23(25)19-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,19H2,1-3H3;1H/q+1;/p-1
InChI Key:
ZJEXXLJGCBFPGI-UHFFFAOYSA-M
SMILES:
O=C(C(C)(C)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.09g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.349g/mol
Monoisotopic Mass:
440.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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