200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1392015-56-3
1392015-56-3 | 2-Benzothiazolecarboxylic acid, 6-chloro-, methyl ester
CAS No: 1392015-56-3 Catalog No: AG001AGZ MDL No:
Product Description
Catalog Number:
AG001AGZ
Chemical Name:
2-Benzothiazolecarboxylic acid, 6-chloro-, methyl ester
CAS Number:
1392015-56-3
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
IUPAC Name:
methyl 6-chloro-1,3-benzothiazole-2-carboxylate
InChI:
InChI=1S/C9H6ClNO2S/c1-13-9(12)8-11-6-3-2-5(10)4-7(6)14-8/h2-4H,1H3
InChI Key:
QBFZHNDPUSOYNU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c(s1)cc(cc2)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.662g/mol
Monoisotopic Mass:
226.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.