Home Other Building Blocks 4,4-difluoro-3-(1H-pyrazol-1-yl)butanoic acid

4,4-difluoro-3-(1H-pyrazol-1-yl)butanoic acid

CAS No.:
1959555-42-0
Catalog Number:
AG01EKQI
Molecular Formula:
C7H8F2N2O2
Molecular Weight:
190.1474
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKQI
Chemical Name:
4,4-difluoro-3-(1H-pyrazol-1-yl)butanoic acid
CAS Number:
1959555-42-0
Molecular Formula:
C7H8F2N2O2
Molecular Weight:
190.1474
MDL Number:
MFCD31414498
IUPAC Name:
4,4-difluoro-3-pyrazol-1-ylbutanoic acid
InChI:
InChI=1S/C7H8F2N2O2/c8-7(9)5(4-6(12)13)11-3-1-2-10-11/h1-3,5,7H,4H2,(H,12,13)
InChI Key:
RCQIFUSKXQAHKA-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cccn1)C(F)F
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.055g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.15g/mol
Monoisotopic Mass:
190.055g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties