Home Other Building Blocks 4-(difluoromethyl)-3-fluorobenzoic acid

4-(difluoromethyl)-3-fluorobenzoic acid

CAS No.:
1780188-78-4
Catalog Number:
AG01BA5P
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BA5P
Chemical Name:
4-(difluoromethyl)-3-fluorobenzoic acid
CAS Number:
1780188-78-4
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD28522914
IUPAC Name:
4-(difluoromethyl)-3-fluorobenzoic acid
InChI:
InChI=1S/C8H5F3O2/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,7H,(H,12,13)
InChI Key:
OKQMWAGMDCSUTC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)C(F)F
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties