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Home Aldehydes 2-Nitro-4-(trifluoromethyl)benzaldehyde

2-Nitro-4-(trifluoromethyl)benzaldehyde

CAS No.:
109466-87-7
Catalog Number:
AG0033EQ
Molecular Formula:
C8H4F3NO3
Molecular Weight:
219.1175
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$119
- +
5g
95%
In Stock USA
United States
$413
- +
Product Description
Catalog Number:
AG0033EQ
Chemical Name:
2-Nitro-4-(trifluoromethyl)benzaldehyde
CAS Number:
109466-87-7
Molecular Formula:
C8H4F3NO3
Molecular Weight:
219.1175
MDL Number:
MFCD06797985
IUPAC Name:
2-nitro-4-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F3NO3/c9-8(10,11)6-2-1-5(4-13)7(3-6)12(14)15/h1-4H
InChI Key:
CTSYMGKKRHIYIH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.014g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.119g/mol
Monoisotopic Mass:
219.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
1H NMR, 13C NMR, and computational DFT studies of the structure of 2-acylcyclohexane-1,3-diones and their alkali metal salts in solution. The Journal of organic chemistry 20060609
Properties