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salfluverine

CAS No.:
587-49-5
Catalog Number:
AG00EZJ0
Molecular Formula:
C14H10F3NO2
Molecular Weight:
281.2299
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Product Description
Catalog Number:
AG00EZJ0
Chemical Name:
salfluverine
CAS Number:
587-49-5
Molecular Formula:
C14H10F3NO2
Molecular Weight:
281.2299
MDL Number:
MFCD00868387
IUPAC Name:
2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
InChI:
InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,18,20)
InChI Key:
WQDAVGDBWHWDSC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)Nc1cccc(c1)C(F)(F)F
EC Number:
209-601-4
UNII:
GAK955D9Q5
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.066g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.234g/mol
Monoisotopic Mass:
281.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
A benzamide-linked small molecule HS-Cf inhibits TNF-α-induced interferon regulatory factor-1 in porcine chondrocytes: a potential disease-modifying drug for osteoarthritis therapeutics. Journal of clinical immunology 20111201
Properties