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1628-57-5 | Phosphonium, (2-benzothiazolylmethyl)triphenyl-, bromide (1:1)
CAS No: 1628-57-5 Catalog No: AG001TFW MDL No:
Product Description
Catalog Number:
AG001TFW
Chemical Name:
Phosphonium, (2-benzothiazolylmethyl)triphenyl-, bromide (1:1)
CAS Number:
1628-57-5
Molecular Formula:
C26H21BrNPS
Molecular Weight:
490.3944
IUPAC Name:
1,3-benzothiazol-2-ylmethyl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C26H21NPS.BrH/c1-4-12-21(13-5-1)28(22-14-6-2-7-15-22,23-16-8-3-9-17-23)20-26-27-24-18-10-11-19-25(24)29-26;/h1-19H,20H2;1H/q+1;/p-1
InChI Key:
FDBYIEBXKZEDNO-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1nc2c(s1)cccc2.[Br-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.032g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.399g/mol
Monoisotopic Mass:
489.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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