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127204-73-3 | 2-(4-Methoxy-phenyl)-benzo[d]imidazo[2,1-b]-thiazole-3-carbaldehyde
CAS No: 127204-73-3 Catalog No: AG01F2F0 MDL No:
Product Description
Catalog Number:
AG01F2F0
Chemical Name:
2-(4-Methoxy-phenyl)-benzo[d]imidazo[2,1-b]-thiazole-3-carbaldehyde
CAS Number:
127204-73-3
Molecular Formula:
C17H12N2O2S
Molecular Weight:
308.3544
IUPAC Name:
2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
InChI:
InChI=1S/C17H12N2O2S/c1-21-12-8-6-11(7-9-12)16-14(10-20)19-13-4-2-3-5-15(13)22-17(19)18-16/h2-10H,1H3
InChI Key:
YRHIOPXFEPCQMB-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1c1ccccc1s2)c1ccc(cc1)OC
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.355g/mol
Monoisotopic Mass:
308.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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