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114076-91-4 | Quinolinium, 3-bromo-1-[(butylthio)methyl]-, chloride (1:1)
CAS No: 114076-91-4 Catalog No: AG000AHG MDL No:
Product Description
Catalog Number:
AG000AHG
Chemical Name:
Quinolinium, 3-bromo-1-[(butylthio)methyl]-, chloride (1:1)
CAS Number:
114076-91-4
Molecular Formula:
C14H17BrClNS
Molecular Weight:
346.7135
IUPAC Name:
3-bromo-1-(butylsulfanylmethyl)quinolin-1-ium;chloride
InChI:
InChI=1S/C14H17BrNS.ClH/c1-2-3-8-17-11-16-10-13(15)9-12-6-4-5-7-14(12)16;/h4-7,9-10H,2-3,8,11H2,1H3;1H/q+1;/p-1
InChI Key:
WHDKBFOAKCPZKM-UHFFFAOYSA-M
SMILES:
CCCCSC[n+]1cc(Br)cc2c1cccc2.[Cl-]
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.711g/mol
Monoisotopic Mass:
344.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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