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127204-72-2 | 2-(4-Bromo-phenyl)-benzo[d]imidazo[2,1-b]thiazole-3-carbaldehyde
CAS No: 127204-72-2 Catalog No: AG01F2GA MDL No:
Product Description
Catalog Number:
AG01F2GA
Chemical Name:
2-(4-Bromo-phenyl)-benzo[d]imidazo[2,1-b]thiazole-3-carbaldehyde
CAS Number:
127204-72-2
Molecular Formula:
C16H9BrN2OS
Molecular Weight:
357.2245
IUPAC Name:
2-(4-bromophenyl)imidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
InChI:
InChI=1S/C16H9BrN2OS/c17-11-7-5-10(6-8-11)15-13(9-20)19-12-3-1-2-4-14(12)21-16(19)18-15/h1-9H
InChI Key:
LKUIUJZCNCTJGA-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1c1ccccc1s2)c1ccc(cc1)Br
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.962g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.225g/mol
Monoisotopic Mass:
355.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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