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1172759-40-8 | Imidazo[2,1-b]thiazole, 2-bromo-3-(4-bromophenyl)-5,6-dihydro-, hydrobromide (1:1)
CAS No: 1172759-40-8 Catalog No: AG000E0M MDL No:MFCD09865013
Product Description
Catalog Number:
AG000E0M
Chemical Name:
Imidazo[2,1-b]thiazole, 2-bromo-3-(4-bromophenyl)-5,6-dihydro-, hydrobromide (1:1)
CAS Number:
1172759-40-8
Molecular Formula:
C11H9Br3N2S
Molecular Weight:
440.9796
MDL Number:
MFCD09865013
IUPAC Name:
2-bromo-3-(4-bromophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
InChI:
InChI=1S/C11H8Br2N2S.BrH/c12-8-3-1-7(2-4-8)9-10(13)16-11-14-5-6-15(9)11;/h1-4H,5-6H2;1H
InChI Key:
POCBKVZNGNCICJ-UHFFFAOYSA-N
SMILES:
Brc1sc2=NCCn2c1c1ccc(cc1)Br.Br
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.802g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.979g/mol
Monoisotopic Mass:
437.804g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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