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1779-58-4

1779-58-4 | Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, bromide (1:1)

CAS No: 1779-58-4 Catalog No: AG0025LT MDL No:MFCD00011801

Product Description

Catalog Number:
AG0025LT
Chemical Name:
Phosphonium, (2-methoxy-2-oxoethyl)triphenyl-, bromide (1:1)
CAS Number:
1779-58-4
Molecular Formula:
C21H20BrO2P
Molecular Weight:
415.2601
MDL Number:
MFCD00011801
IUPAC Name:
(2-methoxy-2-oxoethyl)-triphenylphosphanium;bromide
InChI:
InChI=1S/C21H20O2P.BrH/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChI Key:
VCWBQLMDSMSVRL-UHFFFAOYSA-M
SMILES:
COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
EC Number:
217-222-0
NSC Number:
136109

Properties

Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.038g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.267g/mol
Monoisotopic Mass:
414.038g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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