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13138-25-5 | Phosphonium, 2-buten-1-yltriphenyl-, chloride (1:1)
CAS No: 13138-25-5 Catalog No: AG000W28 MDL No:MFCD00051868
Product Description
Catalog Number:
AG000W28
Chemical Name:
Phosphonium, 2-buten-1-yltriphenyl-, chloride (1:1)
CAS Number:
13138-25-5
Molecular Formula:
C22H22ClP
Molecular Weight:
352.8368
MDL Number:
MFCD00051868
IUPAC Name:
[(E)-but-2-enyl]-triphenylphosphanium;chloride
InChI:
InChI=1S/C22H22P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h2-18H,19H2,1H3;1H/q+1;/p-1/b3-2+;
InChI Key:
YYTDJYJBYMQMDI-SQQVDAMQSA-M
SMILES:
C/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
NSC Number:
126894
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
352.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.842g/mol
Monoisotopic Mass:
352.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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