Home Carboxys Methyl benzo[d]thiazole-6-carboxylate

Methyl benzo[d]thiazole-6-carboxylate

CAS No.:
73931-63-2
Catalog Number:
AG005IX5
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
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Product Description
Catalog Number:
AG005IX5
Chemical Name:
Methyl benzo[d]thiazole-6-carboxylate
CAS Number:
73931-63-2
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD17018863
IUPAC Name:
methyl 1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C9H7NO2S/c1-12-9(11)6-2-3-7-8(4-6)13-5-10-7/h2-5H,1H3
InChI Key:
ISXQEAJOCDXKAU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)scn2
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties