Home Other Building Blocks 4,5-Difluoro-2-methylbenzoic acid

4,5-Difluoro-2-methylbenzoic acid

CAS No.:
183237-86-7
Catalog Number:
AG0027FB
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$125
- +
10g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG0027FB
Chemical Name:
4,5-Difluoro-2-methylbenzoic acid
CAS Number:
183237-86-7
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD08062377
IUPAC Name:
4,5-difluoro-2-methylbenzoic acid
InChI:
InChI=1S/C8H6F2O2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
LDMHYYGJZWDBQL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(cc1C)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:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties