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1620128-74-6 | 7-Benzothiazolecarboxylic acid, 2-chloro-, ethyl ester
CAS No: 1620128-74-6 Catalog No: AG001SN7 MDL No:
Product Description
Catalog Number:
AG001SN7
Chemical Name:
7-Benzothiazolecarboxylic acid, 2-chloro-, ethyl ester
CAS Number:
1620128-74-6
Molecular Formula:
C10H8ClNO2S
Molecular Weight:
241.6940
IUPAC Name:
ethyl 2-chloro-1,3-benzothiazole-7-carboxylate
InChI:
InChI=1S/C10H8ClNO2S/c1-2-14-9(13)6-4-3-5-7-8(6)15-10(11)12-7/h3-5H,2H2,1H3
InChI Key:
JDYSTESFTCVEPI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1sc(n2)Cl
Properties
Complexity:
252
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:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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