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137084-97-0 | Benzamide, 3-[(2,2,2-trifluoroacetyl)amino]-
CAS No: 137084-97-0 Catalog No: AG0012TE MDL No:
Product Description
Catalog Number:
AG0012TE
Chemical Name:
Benzamide, 3-[(2,2,2-trifluoroacetyl)amino]-
CAS Number:
137084-97-0
Molecular Formula:
C9H7F3N2O2
Molecular Weight:
232.1593
IUPAC Name:
3-[(2,2,2-trifluoroacetyl)amino]benzamide
InChI:
InChI=1S/C9H7F3N2O2/c10-9(11,12)8(16)14-6-3-1-2-5(4-6)7(13)15/h1-4H,(H2,13,15)(H,14,16)
InChI Key:
ZGDYDGJXCOFGJU-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1cccc(c1)C(=O)N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.162g/mol
Monoisotopic Mass:
232.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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