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1753-24-8 | 2,1,3-Benzothiadiazole, 4-ethoxy-
CAS No: 1753-24-8 Catalog No: AG0020W0 MDL No:
Product Description
Catalog Number:
AG0020W0
Chemical Name:
2,1,3-Benzothiadiazole, 4-ethoxy-
CAS Number:
1753-24-8
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
4-ethoxy-2,1,3-benzothiadiazole
InChI:
InChI=1S/C8H8N2OS/c1-2-11-7-5-3-4-6-8(7)10-12-9-6/h3-5H,2H2,1H3
InChI Key:
ZARLTGOQDUZQNK-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1nsn2
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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