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1190320-44-5 | 6-Benzothiazolecarboxylic acid, 2-chloro-4-methyl-, methyl ester
CAS No: 1190320-44-5 Catalog No: AG000HXL MDL No:
Product Description
Catalog Number:
AG000HXL
Chemical Name:
6-Benzothiazolecarboxylic acid, 2-chloro-4-methyl-, methyl ester
CAS Number:
1190320-44-5
Molecular Formula:
C10H8ClNO2S
Molecular Weight:
241.6940
IUPAC Name:
methyl 2-chloro-4-methyl-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C10H8ClNO2S/c1-5-3-6(9(13)14-2)4-7-8(5)12-10(11)15-7/h3-4H,1-2H3
InChI Key:
BOLDVAFZLUCRKJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c2c(c1)sc(n2)Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.689g/mol
Monoisotopic Mass:
240.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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