Home Other Building Blocks 2-(Difluoromethoxy)benzoic acid

2-(Difluoromethoxy)benzoic acid

CAS No.:
97914-59-5
Catalog Number:
AG003B2I
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$31
- +
5g
98%
In Stock USA
United States
$119
- +
25g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG003B2I
Chemical Name:
2-(Difluoromethoxy)benzoic acid
CAS Number:
97914-59-5
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD00236223
IUPAC Name:
2-(difluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H6F2O3/c9-8(10)13-6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)
InChI Key:
AGDOJFCUKQMLHD-UHFFFAOYSA-N
SMILES:
FC(Oc1ccccc1C(=O)O)F
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.13g/mol
Monoisotopic Mass:
188.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties