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119826-61-8 | Arsonium, [2-[(2-methylpropyl)amino]-2-oxoethyl]triphenyl-, bromide (1:1)
CAS No: 119826-61-8 Catalog No: AG000PPX MDL No:
Product Description
Catalog Number:
AG000PPX
Chemical Name:
Arsonium, [2-[(2-methylpropyl)amino]-2-oxoethyl]triphenyl-, bromide (1:1)
CAS Number:
119826-61-8
Molecular Formula:
C24H27AsBrNO
Molecular Weight:
500.3029
IUPAC Name:
[2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium;bromide
InChI:
InChI=1S/C24H26AsNO.BrH/c1-20(2)19-26-24(27)18-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H
InChI Key:
JHSFZEFKIHABBF-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)C[As+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[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:
499.049g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.312g/mol
Monoisotopic Mass:
499.049g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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