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124694-74-2 | Phosphonium, [[4-(acetyloxy)phenyl]methyl]triphenyl-, bromide (1:1)
CAS No: 124694-74-2 Catalog No: AG000MMZ MDL No:
Product Description
Catalog Number:
AG000MMZ
Chemical Name:
Phosphonium, [[4-(acetyloxy)phenyl]methyl]triphenyl-, bromide (1:1)
CAS Number:
124694-74-2
Molecular Formula:
C27H24BrO2P
Molecular Weight:
491.3560
IUPAC Name:
(4-acetyloxyphenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C27H24O2P.BrH/c1-22(28)29-24-19-17-23(18-20-24)21-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChI Key:
MMKRWVGJGBOMFQ-UHFFFAOYSA-M
SMILES:
CC(=O)Oc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.07g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.365g/mol
Monoisotopic Mass:
490.07g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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