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138058-36-3

138058-36-3 | Arsonium, (3-hydroxy-3-methyl-2-oxobutyl)triphenyl-, bromide (1:1)

CAS No: 138058-36-3 Catalog No: AG0017XF MDL No:

Product Description

Catalog Number:
AG0017XF
Chemical Name:
Arsonium, (3-hydroxy-3-methyl-2-oxobutyl)triphenyl-, bromide (1:1)
CAS Number:
138058-36-3
Molecular Formula:
C23H24AsBrO2
Molecular Weight:
487.2611
IUPAC Name:
(3-hydroxy-3-methyl-2-oxobutyl)-triphenylarsanium;bromide
InChI:
InChI=1S/C23H24AsO2.BrH/c1-23(2,26)22(25)18-24(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17,26H,18H2,1-2H3;1H/q+1;/p-1
InChI Key:
CUURGVGMEISMRK-UHFFFAOYSA-M
SMILES:
O=C(C(O)(C)C)C[As+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

Properties

Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.018g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
487.269g/mol
Monoisotopic Mass:
486.018g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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