Name: Name:2-CHLORO-BENZOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER
Brand: Angene
SKU: AG01DWTA
Rating: 90 (10 reviews)

2-CHLORO-BENZOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER

CAS No.:

90225-03-9

Catalog Number:

AG01DWTA

Molecular Formula:

C9H6ClNO2S

Molecular Weight:

227.6674

Catalog Number:

AG01DWTA

Chemical Name:

2-CHLORO-BENZOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER

CAS Number:

90225-03-9

Molecular Formula:

C9H6ClNO2S

Molecular Weight:

227.6674

IUPAC Name:

methyl 2-chloro-1,3-benzothiazole-5-carboxylate

InChI:

InChI=1S/C9H6ClNO2S/c1-13-8(12)5-2-3-7-6(4-5)11-9(10)14-7/h2-4H,1H3

InChI Key:

BYLOHEPCHOXXGW-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1)nc(s2)Cl

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.981g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.662g/mol

Monoisotopic Mass:

226.981g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2