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77028-94-5 | (3-methylnaphthalen-1-yl)methyl-triphenyl-phosphanium bromide
CAS No: 77028-94-5 Catalog No: AG00573G MDL No:
Product Description
Catalog Number:
AG00573G
Chemical Name:
(3-methylnaphthalen-1-yl)methyl-triphenyl-phosphanium bromide
CAS Number:
77028-94-5
Molecular Formula:
C30H26BrP
Molecular Weight:
497.4052
IUPAC Name:
(3-methylnaphthalen-1-yl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C30H26P.BrH/c1-24-21-25-13-11-12-20-30(25)26(22-24)23-31(27-14-5-2-6-15-27,28-16-7-3-8-17-28)29-18-9-4-10-19-29;/h2-22H,23H2,1H3;1H/q+1;/p-1
InChI Key:
XSZCWGVNTLAGII-UHFFFAOYSA-M
SMILES:
Cc1cc2ccccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[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:
496.096g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.416g/mol
Monoisotopic Mass:
496.096g/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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