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132007-91-1 | Benzothiazolium, 2-[2-(2-furanyl)ethenyl]-3-(2-propen-1-yl)-, bromide (1:1)
CAS No: 132007-91-1 Catalog No: AG00102U MDL No:
Product Description
Catalog Number:
AG00102U
Chemical Name:
Benzothiazolium, 2-[2-(2-furanyl)ethenyl]-3-(2-propen-1-yl)-, bromide (1:1)
CAS Number:
132007-91-1
Molecular Formula:
C16H14BrNOS
Molecular Weight:
348.2575
IUPAC Name:
2-[2-(furan-2-yl)ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C16H14NOS.BrH/c1-2-11-17-14-7-3-4-8-15(14)19-16(17)10-9-13-6-5-12-18-13;/h2-10,12H,1,11H2;1H/q+1;/p-1
InChI Key:
NGDNEYSZKQDLTR-UHFFFAOYSA-M
SMILES:
C=CC[n+]1c(C=Cc2ccco2)sc2c1cccc2.[Br-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.998g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.258g/mol
Monoisotopic Mass:
346.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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