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99651-30-6 | TRIPHENYL-(2-QUINOLINYLMETHYL)-PHOSPHONIUMCHLORIDE
CAS No: 99651-30-6 Catalog No: AG006NLX MDL No:
Product Description
Catalog Number:
AG006NLX
Chemical Name:
TRIPHENYL-(2-QUINOLINYLMETHYL)-PHOSPHONIUMCHLORIDE
CAS Number:
99651-30-6
Molecular Formula:
C28H23ClNP
Molecular Weight:
439.9157
IUPAC Name:
triphenyl(quinolin-2-ylmethyl)phosphanium;chloride
InChI:
InChI=1S/C28H23NP.ClH/c1-4-13-25(14-5-1)30(26-15-6-2-7-16-26,27-17-8-3-9-18-27)22-24-21-20-23-12-10-11-19-28(23)29-24;/h1-21H,22H2;1H/q+1;/p-1
InChI Key:
BRHOKTBAFIQRFX-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1ccc2c(n1)cccc2.[Cl-]
NSC Number:
252080
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.126g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.923g/mol
Monoisotopic Mass:
439.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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