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81021-97-8 | Ethyl 7-methoxybenzo[d]imidazo[2,1-b]thiazole-2-carboxylate
CAS No: 81021-97-8 Catalog No: AG0056M0 MDL No:
Product Description
Catalog Number:
AG0056M0
Chemical Name:
Ethyl 7-methoxybenzo[d]imidazo[2,1-b]thiazole-2-carboxylate
CAS Number:
81021-97-8
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.3110
IUPAC Name:
ethyl 6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
InChI:
InChI=1S/C13H12N2O3S/c1-3-18-12(16)9-7-15-10-5-4-8(17-2)6-11(10)19-13(15)14-9/h4-7H,3H2,1-2H3
InChI Key:
UHKUIINEEJIQHE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn2c(n1)sc1c2ccc(c1)OC
NSC Number:
697569
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.31g/mol
Monoisotopic Mass:
276.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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