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1190320-64-9 | 4-Benzothiazolecarboxylic acid, 6-chloro-, methyl ester
CAS No: 1190320-64-9 Catalog No: AG000HXB MDL No:
Product Description
Catalog Number:
AG000HXB
Chemical Name:
4-Benzothiazolecarboxylic acid, 6-chloro-, methyl ester
CAS Number:
1190320-64-9
Molecular Formula:
C9H6ClNO2S
Molecular Weight:
227.6674
IUPAC Name:
methyl 6-chloro-1,3-benzothiazole-4-carboxylate
InChI:
InChI=1S/C9H6ClNO2S/c1-13-9(12)6-2-5(10)3-7-8(6)11-4-14-7/h2-4H,1H3
InChI Key:
JJUSMMSUPRGLQB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc2c1ncs2
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:
2.9
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