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Home > Imidazoles > 860788-32-5
860788-32-5 | 3-{5-formylimidazo[2,1-b][1,3]thiazol-6-yl}benzonitrile
CAS No: 860788-32-5 Catalog No: AG00IO2V MDL No:MFCD03787264
Product Description
Catalog Number:
AG00IO2V
Chemical Name:
3-{5-formylimidazo[2,1-b][1,3]thiazol-6-yl}benzonitrile
CAS Number:
860788-32-5
Molecular Formula:
C13H7N3OS
Molecular Weight:
253.2792
MDL Number:
MFCD03787264
IUPAC Name:
3-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
InChI:
InChI=1S/C13H7N3OS/c14-7-9-2-1-3-10(6-9)12-11(8-17)16-4-5-18-13(16)15-12/h1-6,8H
InChI Key:
PFHMSNUQRIMNLD-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1ccs2)c1cccc(c1)C#N
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.279g/mol
Monoisotopic Mass:
253.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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