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2091-46-5 | Phosphonium, triphenyl-2-propyn-1-yl-, bromide (1:1)
CAS No: 2091-46-5 Catalog No: AG002K1I MDL No:MFCD00011811
Product Description
Catalog Number:
AG002K1I
Chemical Name:
Phosphonium, triphenyl-2-propyn-1-yl-, bromide (1:1)
CAS Number:
2091-46-5
Molecular Formula:
C21H18BrP
Molecular Weight:
381.2454
MDL Number:
MFCD00011811
IUPAC Name:
triphenyl(prop-2-ynyl)phosphanium;bromide
InChI:
InChI=1S/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h1,3-17H,18H2;1H/q+1;/p-1
InChI Key:
AFZDAWIXETXKRE-UHFFFAOYSA-M
SMILES:
C#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
EC Number:
218-242-2
NSC Number:
219251
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.033g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.253g/mol
Monoisotopic Mass:
380.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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