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140367-34-6 | Phosphonium, [1-cyano-2-(dimethylamino)ethenyl]triphenyl-, chloride (1:1)
CAS No: 140367-34-6 Catalog No: AG001CAA MDL No:
Product Description
Catalog Number:
AG001CAA
Chemical Name:
Phosphonium, [1-cyano-2-(dimethylamino)ethenyl]triphenyl-, chloride (1:1)
CAS Number:
140367-34-6
Molecular Formula:
C23H22ClN2P
Molecular Weight:
392.8609
IUPAC Name:
[1-cyano-2-(dimethylamino)ethenyl]-triphenylphosphanium;chloride
InChI:
InChI=1S/C23H22N2P.ClH/c1-25(2)19-23(18-24)26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,1-2H3;1H/q+1;/p-1
InChI Key:
UCNNGRLNZRCMHQ-UHFFFAOYSA-M
SMILES:
CN(C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C#N)C.[Cl-]
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.867g/mol
Monoisotopic Mass:
392.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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