sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 4,4,4-Trifluoro-1-(4-nitrophenyl)-1,3-butanedione

4,4,4-Trifluoro-1-(4-nitrophenyl)-1,3-butanedione

CAS No.:
35999-53-2
Catalog Number:
AG00D2FS
Molecular Formula:
C10H6F3NO4
Molecular Weight:
261.1541
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$177
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
5g
95%
In Stock USA
United States
$1764
- +
Product Description
Catalog Number:
AG00D2FS
Chemical Name:
4,4,4-Trifluoro-1-(4-nitrophenyl)-1,3-butanedione
CAS Number:
35999-53-2
Molecular Formula:
C10H6F3NO4
Molecular Weight:
261.1541
MDL Number:
MFCD00440667
IUPAC Name:
4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
InChI:
InChI=1S/C10H6F3NO4/c11-10(12,13)9(16)5-8(15)6-1-3-7(4-2-6)14(17)18/h1-4H,5H2
InChI Key:
CDSAMNVLRSHLPN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])CC(=O)C(F)(F)F
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.025g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.156g/mol
Monoisotopic Mass:
261.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties