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439108-92-6 | 7-ETHOXY-2-(3-NITROPHENYL)IMIDAZO[2,1-B][1,3]BENZOTHIAZOLE
CAS No: 439108-92-6 Catalog No: AG00DTEQ MDL No:MFCD03012716
Product Description
Catalog Number:
AG00DTEQ
Chemical Name:
7-ETHOXY-2-(3-NITROPHENYL)IMIDAZO[2,1-B][1,3]BENZOTHIAZOLE
CAS Number:
439108-92-6
Molecular Formula:
C17H13N3O3S
Molecular Weight:
339.3684
MDL Number:
MFCD03012716
IUPAC Name:
6-ethoxy-2-(3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazole
InChI:
InChI=1S/C17H13N3O3S/c1-2-23-13-6-7-15-16(9-13)24-17-18-14(10-19(15)17)11-4-3-5-12(8-11)20(21)22/h3-10H,2H2,1H3
InChI Key:
WHNSCKRERBOGHG-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc1n2cc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.068g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.369g/mol
Monoisotopic Mass:
339.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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