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114809-01-7 | Quinolinium, 2,4-dimethyl-1-(2-propyn-1-yl)-, bromide (1:1)
CAS No: 114809-01-7 Catalog No: AG000F9O MDL No:
Product Description
Catalog Number:
AG000F9O
Chemical Name:
Quinolinium, 2,4-dimethyl-1-(2-propyn-1-yl)-, bromide (1:1)
CAS Number:
114809-01-7
Molecular Formula:
C14H14BrN
Molecular Weight:
276.1717
IUPAC Name:
2,4-dimethyl-1-prop-2-ynylquinolin-1-ium;bromide
InChI:
InChI=1S/C14H14N.BrH/c1-4-9-15-12(3)10-11(2)13-7-5-6-8-14(13)15;/h1,5-8,10H,9H2,2-3H3;1H/q+1;/p-1
InChI Key:
DXESLEPAZZCAOQ-UHFFFAOYSA-M
SMILES:
C#CC[n+]1c(C)cc(c2c1cccc2)C.[Br-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.177g/mol
Monoisotopic Mass:
275.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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