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Home Aminos Acetamide, N-[2-amino-4-(trifluoromethyl)phenyl]-

Acetamide, N-[2-amino-4-(trifluoromethyl)phenyl]-

CAS No.:
97051-69-9
Catalog Number:
AG00IJWH
Molecular Formula:
C9H9F3N2O
Molecular Weight:
218.1758
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Product Description
Catalog Number:
AG00IJWH
Chemical Name:
Acetamide, N-[2-amino-4-(trifluoromethyl)phenyl]-
CAS Number:
97051-69-9
Molecular Formula:
C9H9F3N2O
Molecular Weight:
218.1758
MDL Number:
MFCD00018052
IUPAC Name:
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C9H9F3N2O/c1-5(15)14-8-3-2-6(4-7(8)13)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChI Key:
YBCKBOPAWVBWJH-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1N)C(F)(F)F
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.179g/mol
Monoisotopic Mass:
218.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
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