Home Other Building Blocks 2,5-Difluoro-3-methylbenzoic acid

2,5-Difluoro-3-methylbenzoic acid

CAS No.:
1003710-01-7
Catalog Number:
AG0001RT
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
1 week
United States
$253
- +
1g
96%
1 week
United States
$684
- +
Product Description
Catalog Number:
AG0001RT
Chemical Name:
2,5-Difluoro-3-methylbenzoic acid
CAS Number:
1003710-01-7
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD09835286
IUPAC Name:
2,5-difluoro-3-methylbenzoic acid
InChI:
InChI=1S/C8H6F2O2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
PATNBLNHYHHRQH-UHFFFAOYSA-N
SMILES:
Fc1cc(C)c(c(c1)C(=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:
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