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Home Other Building Blocks 2-Amino-4,5-difluorobenzoic acid

2-Amino-4,5-difluorobenzoic acid

CAS No.:
83506-93-8
Catalog Number:
AG003GEE
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$18
- +
25g
98%
In Stock USA
United States
$62
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003GEE
Chemical Name:
2-Amino-4,5-difluorobenzoic acid
CAS Number:
83506-93-8
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD00077509
IUPAC Name:
2-amino-4,5-difluorobenzoic acid
InChI:
InChI=1S/C7H5F2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)
InChI Key:
DGOZIZVTANAGCA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(cc1N)F
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
FT-IR, Raman and DFT study of 2-amino-5-fluorobenzoic acid and its biological activity with other halogen (Cl, Br) substitution. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110701
FT-Raman and FT-IR spectra, ab initio and density functional studies of 2-amino-4,5-difluorobenzoic acid. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070601
Properties