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126115-86-4 | Pyridinium, 1-octadecyl-4-(2-phenylethenyl)-, bromide (1:1)
CAS No: 126115-86-4 Catalog No: AG000RNB MDL No:MFCD00060044
Product Description
Catalog Number:
AG000RNB
Chemical Name:
Pyridinium, 1-octadecyl-4-(2-phenylethenyl)-, bromide (1:1)
CAS Number:
126115-86-4
Molecular Formula:
C31H48BrN
Molecular Weight:
514.6235
MDL Number:
MFCD00060044
IUPAC Name:
1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium;bromide
InChI:
InChI=1S/C31H48N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-28-25-31(26-29-32)24-23-30-21-18-17-19-22-30;/h17-19,21-26,28-29H,2-16,20,27H2,1H3;1H/q+1;/p-1/b24-23+;
InChI Key:
FEIYCOMNTWABLV-XMXXDQCKSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)C=Cc1ccccc1.[Br-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
513.297g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.636g/mol
Monoisotopic Mass:
513.297g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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