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Home Aminos 2-((4-((difluoromethyl)thio)phenyl)amino)-benzoicaci

2-((4-((difluoromethyl)thio)phenyl)amino)-benzoicaci

CAS No.:
51679-50-6
Catalog Number:
AG00DH3K
Molecular Formula:
C14H11F2NO2S
Molecular Weight:
295.3044
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Product Description
Catalog Number:
AG00DH3K
Chemical Name:
2-((4-((difluoromethyl)thio)phenyl)amino)-benzoicaci
CAS Number:
51679-50-6
Molecular Formula:
C14H11F2NO2S
Molecular Weight:
295.3044
MDL Number:
MFCD00156963
IUPAC Name:
2-[4-(difluoromethylsulfanyl)anilino]benzoic acid
InChI:
InChI=1S/C14H11F2NO2S/c15-14(16)20-10-7-5-9(6-8-10)17-12-4-2-1-3-11(12)13(18)19/h1-8,14,17H,(H,18,19)
InChI Key:
KQEFJYIAABWDRN-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)Nc1ccccc1C(=O)O)F
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.048g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.304g/mol
Monoisotopic Mass:
295.048g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties