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Home Other Building Blocks methyl 4-(2,2,2-trifluoroacetamido)benzoate

methyl 4-(2,2,2-trifluoroacetamido)benzoate

CAS No.:
304646-56-8
Catalog Number:
AG01BJL7
Molecular Formula:
C10H8F3NO3
Molecular Weight:
247.1706
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Product Description
Catalog Number:
AG01BJL7
Chemical Name:
methyl 4-(2,2,2-trifluoroacetamido)benzoate
CAS Number:
304646-56-8
Molecular Formula:
C10H8F3NO3
Molecular Weight:
247.1706
MDL Number:
MFCD00441384
IUPAC Name:
methyl 4-[(2,2,2-trifluoroacetyl)amino]benzoate
InChI:
InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChI Key:
MDDVOSSRTNAXHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.173g/mol
Monoisotopic Mass:
247.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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