sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone

2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone

CAS No.:
86404-63-9
Catalog Number:
AG003FSE
Molecular Formula:
C10H7F2N3O
Molecular Weight:
223.1789
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$307
- +
Product Description
Catalog Number:
AG003FSE
Chemical Name:
2',4'-Difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone
CAS Number:
86404-63-9
Molecular Formula:
C10H7F2N3O
Molecular Weight:
223.1789
MDL Number:
MFCD02093825
IUPAC Name:
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
InChI:
InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChI Key:
XCHRPVARHBCFMJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)C(=O)Cn1cncn1
EC Number:
617-850-9
UNII:
HXI8R9R915
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.183g/mol
Monoisotopic Mass:
223.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Design, synthesis and evaluation of clinafloxacin triazole hybrids as a new type of antibacterial and antifungal agents. Bioorganic & medicinal chemistry letters 20120901
(Z)-1-(2,4-Difluoro-phen-yl)-3-(4-fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20120401
(Z)-1-(2,4-Difluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone oxime. Acta crystallographica. Section E, Structure reports online 20111201
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