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114125-97-2 | Phosphonium, [(1-nitro-2-naphthalenyl)methyl]triphenyl-, bromide (1:1)
CAS No: 114125-97-2 Catalog No: AG000AN3 MDL No:
Product Description
Catalog Number:
AG000AN3
Chemical Name:
Phosphonium, [(1-nitro-2-naphthalenyl)methyl]triphenyl-, bromide (1:1)
CAS Number:
114125-97-2
Molecular Formula:
C29H23BrNO2P
Molecular Weight:
528.3762
IUPAC Name:
(1-nitronaphthalen-2-yl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C29H23NO2P.BrH/c31-30(32)29-24(21-20-23-12-10-11-19-28(23)29)22-33(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27;/h1-21H,22H2;1H/q+1;/p-1
InChI Key:
HTGFGNZOFDKPML-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1c(ccc2c1cccc2)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.065g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.386g/mol
Monoisotopic Mass:
527.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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