Home Other Building Blocks 2-(3,4-difluorophenyl)-2-oxoacetic acid

2-(3,4-difluorophenyl)-2-oxoacetic acid

CAS No.:
890097-94-6
Catalog Number:
AG01AAVC
Molecular Formula:
C8H4F2O3
Molecular Weight:
186.1124
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AAVC
Chemical Name:
2-(3,4-difluorophenyl)-2-oxoacetic acid
CAS Number:
890097-94-6
Molecular Formula:
C8H4F2O3
Molecular Weight:
186.1124
MDL Number:
MFCD07698680
IUPAC Name:
2-(3,4-difluorophenyl)-2-oxoacetic acid
InChI:
InChI=1S/C8H4F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3H,(H,12,13)
InChI Key:
PXHFUJJNVRHOSE-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)c1ccc(c(c1)F)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.013g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.114g/mol
Monoisotopic Mass:
186.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties