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101363-28-4 | Phosphonium, tributyl(1-pyrenylmethyl)-, bromide (1:1)
CAS No: 101363-28-4 Catalog No: AG0004AM MDL No:
Product Description
Catalog Number:
AG0004AM
Chemical Name:
Phosphonium, tributyl(1-pyrenylmethyl)-, bromide (1:1)
CAS Number:
101363-28-4
Molecular Formula:
C29H38BrP
Molecular Weight:
497.4898
IUPAC Name:
tributyl(pyren-1-ylmethyl)phosphanium;bromide
InChI:
InChI=1S/C29H38P.BrH/c1-4-7-19-30(20-8-5-2,21-9-6-3)22-26-16-15-25-14-13-23-11-10-12-24-17-18-27(26)29(25)28(23)24;/h10-18H,4-9,19-22H2,1-3H3;1H/q+1;/p-1
InChI Key:
BSMBTNOXBQAVSS-UHFFFAOYSA-M
SMILES:
CCCC[P+](Cc1ccc2c3c1ccc1c3c(cc2)ccc1)(CCCC)CCCC.[Br-]
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.189g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.501g/mol
Monoisotopic Mass:
496.189g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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