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Home > Bromides > 1174131-47-5
1174131-47-5 | Phosphonium, [2-(5-carboxy-2-thienyl)ethyl]triphenyl-, bromide (1:1)
CAS No: 1174131-47-5 Catalog No: AG000E9I MDL No:
Product Description
Catalog Number:
AG000E9I
Chemical Name:
Phosphonium, [2-(5-carboxy-2-thienyl)ethyl]triphenyl-, bromide (1:1)
CAS Number:
1174131-47-5
Molecular Formula:
C25H22BrO2PS
Molecular Weight:
497.3837
IUPAC Name:
2-(5-carboxythiophen-2-yl)ethyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H21O2PS.BrH/c26-25(27)24-17-16-23(29-24)18-19-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-17H,18-19H2;1H
InChI Key:
ZQUDZYWZGZOAJB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)CC[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:
496.026g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
497.387g/mol
Monoisotopic Mass:
496.026g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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