Name: Name:2,1,3-Benzothiadiazole-5-acetic acid, ethyl ester
Brand: Angene
SKU: AG007R9U
Rating: 90 (10 reviews)

2,1,3-Benzothiadiazole-5-acetic acid, ethyl ester

CAS No.:

195505-47-6

Catalog Number:

AG007R9U

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

Catalog Number:

AG007R9U

Chemical Name:

2,1,3-Benzothiadiazole-5-acetic acid, ethyl ester

CAS Number:

195505-47-6

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

MDL Number:

MFCD28127334

IUPAC Name:

ethyl 2-(2,1,3-benzothiadiazol-5-yl)acetate

InChI:

InChI=1S/C10H10N2O2S/c1-2-14-10(13)6-7-3-4-8-9(5-7)12-15-11-8/h3-5H,2,6H2,1H3

InChI Key:

AAZNXGHXCQJHGD-UHFFFAOYSA-N

SMILES:

CCOC(=O)Cc1ccc2c(c1)nsn2

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.262g/mol

Monoisotopic Mass:

222.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9