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Home > Bromides > 77101-52-1

77101-52-1

77101-52-1 | Quinolinium,1-tetradecyl-, bromide (1:1)

CAS No: 77101-52-1 Catalog No: AG005EF3 MDL No:

Product Description

Catalog Number:
AG005EF3
Chemical Name:
Quinolinium,1-tetradecyl-, bromide (1:1)
CAS Number:
77101-52-1
Molecular Formula:
C23H36BrN
Molecular Weight:
406.4426
IUPAC Name:
1-tetradecylquinolin-1-ium;bromide
InChI:
InChI=1S/C23H36N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-24-21-16-18-22-17-13-14-19-23(22)24;/h13-14,16-19,21H,2-12,15,20H2,1H3;1H/q+1;/p-1
InChI Key:
GDQXERXKBRZTRU-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCC[n+]1cccc2c1cccc2.[Br-]
EC Number:
278-622-9

Properties

Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.203g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.452g/mol
Monoisotopic Mass:
405.203g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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