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17827-53-1 | Phosphonium, (1-methylbutyl)triphenyl-, bromide (1:1)
CAS No: 17827-53-1 Catalog No: AG0025WR MDL No:
Product Description
Catalog Number:
AG0025WR
Chemical Name:
Phosphonium, (1-methylbutyl)triphenyl-, bromide (1:1)
CAS Number:
17827-53-1
Molecular Formula:
C23H26BrP
Molecular Weight:
413.3303
IUPAC Name:
pentan-2-yl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C23H26P.BrH/c1-3-13-20(2)24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-20H,3,13H2,1-2H3;1H/q+1;/p-1
InChI Key:
RLLNCDBVZIWVDD-UHFFFAOYSA-M
SMILES:
CCCC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
EC Number:
241-785-1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.339g/mol
Monoisotopic Mass:
412.096g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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