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31522-00-6 | 6-(4-Nitro-phenyl)-imidazo[2,1-b]thiazole-5-carboxaldehyde
CAS No: 31522-00-6 Catalog No: AG01F2C6 MDL No:MFCD02091518
Product Description
Catalog Number:
AG01F2C6
Chemical Name:
6-(4-Nitro-phenyl)-imidazo[2,1-b]thiazole-5-carboxaldehyde
CAS Number:
31522-00-6
Molecular Formula:
C12H7N3O3S
Molecular Weight:
273.2673
MDL Number:
MFCD02091518
IUPAC Name:
6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
InChI:
InChI=1S/C12H7N3O3S/c16-7-10-11(13-12-14(10)5-6-19-12)8-1-3-9(4-2-8)15(17)18/h1-7H
InChI Key:
XRRPVDOUICBZRT-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.266g/mol
Monoisotopic Mass:
273.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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