Name: Name:1,2,3-Benzothiadiazole-5-carboxylic acid, methyl ester
Brand: Angene
SKU: AG002NX4
Rating: 90 (10 reviews)

1,2,3-Benzothiadiazole-5-carboxylic acid, methyl ester

CAS No.:

23616-15-1

Catalog Number:

AG002NX4

Molecular Formula:

C8H6N2O2S

Molecular Weight:

194.2104

Catalog Number:

AG002NX4

Chemical Name:

1,2,3-Benzothiadiazole-5-carboxylic acid, methyl ester

CAS Number:

23616-15-1

Molecular Formula:

C8H6N2O2S

Molecular Weight:

194.2104

MDL Number:

MFCD01566550

IUPAC Name:

methyl 1,2,3-benzothiadiazole-5-carboxylate

InChI:

InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-3-7-6(4-5)9-10-13-7/h2-4H,1H3

InChI Key:

JCRFJMHWEAYQAA-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1)nns2

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.208g/mol

Monoisotopic Mass:

194.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7