Home Other Building Blocks METHYL 5-CHLORO-3-METHYLBENZOFURAN-2-CARBOXYLATE

METHYL 5-CHLORO-3-METHYLBENZOFURAN-2-CARBOXYLATE

CAS No.:
91398-63-9
Catalog Number:
AG01DM18
Molecular Formula:
C11H9ClO3
Molecular Weight:
224.6404
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Product Description
Catalog Number:
AG01DM18
Chemical Name:
METHYL 5-CHLORO-3-METHYLBENZOFURAN-2-CARBOXYLATE
CAS Number:
91398-63-9
Molecular Formula:
C11H9ClO3
Molecular Weight:
224.6404
MDL Number:
MFCD02051256
IUPAC Name:
methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C11H9ClO3/c1-6-8-5-7(12)3-4-9(8)15-10(6)11(13)14-2/h3-5H,1-2H3
InChI Key:
LKQFSVREHNMXKY-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc2c(c1C)cc(cc2)Cl
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.64g/mol
Monoisotopic Mass:
224.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties