Home Other Building Blocks 3-[(pentafluorophenyl)carbamoyl]propanoic acid

3-[(pentafluorophenyl)carbamoyl]propanoic acid

CAS No.:
438612-41-0
Catalog Number:
AG01BC27
Molecular Formula:
C10H6F5NO3
Molecular Weight:
283.1516
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BC27
Chemical Name:
3-[(pentafluorophenyl)carbamoyl]propanoic acid
CAS Number:
438612-41-0
Molecular Formula:
C10H6F5NO3
Molecular Weight:
283.1516
MDL Number:
MFCD01336909
IUPAC Name:
4-oxo-4-(2,3,4,5,6-pentafluoroanilino)butanoic acid
InChI:
InChI=1S/C10H6F5NO3/c11-5-6(12)8(14)10(9(15)7(5)13)16-3(17)1-2-4(18)19/h1-2H2,(H,16,17)(H,18,19)
InChI Key:
PJXBXTXOZPKSCL-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(F)c(F)c(c(c1F)F)F)CCC(=O)O
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.027g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.154g/mol
Monoisotopic Mass:
283.027g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties