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727652-18-8 | 2-(4-Nitro-phenyl)-benzo[d]imidazo[2,1-b]thiazole-3-carbaldehyde
CAS No: 727652-18-8 Catalog No: AG01EX5D MDL No:
Product Description
Catalog Number:
AG01EX5D
Chemical Name:
2-(4-Nitro-phenyl)-benzo[d]imidazo[2,1-b]thiazole-3-carbaldehyde
CAS Number:
727652-18-8
Molecular Formula:
C16H9N3O3S
Molecular Weight:
323.3260
IUPAC Name:
2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
InChI:
InChI=1S/C16H9N3O3S/c20-9-13-15(10-5-7-11(8-6-10)19(21)22)17-16-18(13)12-3-1-2-4-14(12)23-16/h1-9H
InChI Key:
PYQOYPZZPGZNKB-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1c1ccccc1s2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.036g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.326g/mol
Monoisotopic Mass:
323.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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