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Home Other Building Blocks 2,5-Difluorobenzoic acid

2,5-Difluorobenzoic acid

CAS No.:
2991-28-8
Catalog Number:
AG003FYC
Molecular Formula:
C7H4F2O2
Molecular Weight:
158.1023
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$88
- +
500g
99%(GC)
In Stock USA
United States
$344
- +
Product Description
Catalog Number:
AG003FYC
Chemical Name:
2,5-Difluorobenzoic acid
CAS Number:
2991-28-8
Molecular Formula:
C7H4F2O2
Molecular Weight:
158.1023
MDL Number:
MFCD00002410
IUPAC Name:
2,5-difluorobenzoic acid
InChI:
InChI=1S/C7H4F2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key:
LBQMIAVIGLLBGW-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)F
EC Number:
221-060-6
NSC Number:
190310
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.018g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.104g/mol
Monoisotopic Mass:
158.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
catena-Poly[[trimethyl-tin(IV)]-μ-2,5-difluoro-benzoato-κO:O']. Acta crystallographica. Section E, Structure reports online 20090101
Tetra-μ-2,5-difluoro-benzoato-bis-[(2,2'-bipyridine)(2,5-difluoro-benzoato)gadolinium(III)]. Acta crystallographica. Section E, Structure reports online 20080901
Properties