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Home Nitriles 2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

CAS No.:
3335-44-2
Catalog Number:
AG003HTY
Molecular Formula:
C13H7F3N2O
Molecular Weight:
264.2027
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$91
- +
5g
≥ 98% (HPLC)
1 week
United States
$281
- +
10g
≥ 98% (HPLC)
1 week
United States
$484
- +
Product Description
Catalog Number:
AG003HTY
Chemical Name:
2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CAS Number:
3335-44-2
Molecular Formula:
C13H7F3N2O
Molecular Weight:
264.2027
MDL Number:
MFCD00474273
IUPAC Name:
2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H7F3N2O/c14-13(15,16)10-6-11(8-4-2-1-3-5-8)18-12(19)9(10)7-17/h1-6H,(H,18,19)
InChI Key:
OOVASHBTYQTRFA-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(cc1C(F)(F)F)c1ccccc1
Properties
Complexity:
502  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.207g/mol
Monoisotopic Mass:
264.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties