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Home Other Building Blocks 2-(N-methylfuran-2-amido)benzoic acid

2-(N-methylfuran-2-amido)benzoic acid

CAS No.:
67735-53-9
Catalog Number:
AG01AGQ1
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
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Product Description
Catalog Number:
AG01AGQ1
Chemical Name:
2-(N-methylfuran-2-amido)benzoic acid
CAS Number:
67735-53-9
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD00584709
IUPAC Name:
2-[furan-2-carbonyl(methyl)amino]benzoic acid
InChI:
InChI=1S/C13H11NO4/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
XUTOVKFGVYNJCP-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1C(=O)O)C)c1ccco1
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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