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Home > Fluorides > 137272-70-9
137272-70-9 | 2-Thiophenecarboxamide, N-[2-(trifluoromethyl)phenyl]-
CAS No: 137272-70-9 Catalog No: AG001313 MDL No:
Product Description
Catalog Number:
AG001313
Chemical Name:
2-Thiophenecarboxamide, N-[2-(trifluoromethyl)phenyl]-
CAS Number:
137272-70-9
Molecular Formula:
C12H8F3NOS
Molecular Weight:
271.2582
IUPAC Name:
N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
InChI:
InChI=1S/C12H8F3NOS/c13-12(14,15)8-4-1-2-5-9(8)16-11(17)10-6-3-7-18-10/h1-7H,(H,16,17)
InChI Key:
IPGAOXGHTWQYHA-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)Nc1ccccc1C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.257g/mol
Monoisotopic Mass:
271.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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