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23616-16-2 | 1,2,3-Benzothiadiazole-5-carboxylic acid, ethyl ester
CAS No: 23616-16-2 Catalog No: AG002NX3 MDL No:MFCD11616882
Product Description
Catalog Number:
AG002NX3
Chemical Name:
1,2,3-Benzothiadiazole-5-carboxylic acid, ethyl ester
CAS Number:
23616-16-2
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD11616882
IUPAC Name:
ethyl 1,2,3-benzothiadiazole-5-carboxylate
InChI:
InChI=1S/C9H8N2O2S/c1-2-13-9(12)6-3-4-8-7(5-6)10-11-14-8/h3-5H,2H2,1H3
InChI Key:
TVJPFOSAXVPJCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)nns2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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