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

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

CAS No.:
2138353-85-0
Catalog Number:
AG01EKZS
Molecular Formula:
C7H8F2N2O2
Molecular Weight:
190.1474
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Product Description
Catalog Number:
AG01EKZS
Chemical Name:
4,4-difluoro-3-(1H-imidazol-1-yl)butanoic acid
CAS Number:
2138353-85-0
Molecular Formula:
C7H8F2N2O2
Molecular Weight:
190.1474
MDL Number:
MFCD31558723
IUPAC Name:
4,4-difluoro-3-imidazol-1-ylbutanoic acid
InChI:
InChI=1S/C7H8F2N2O2/c8-7(9)5(3-6(12)13)11-2-1-10-4-11/h1-2,4-5,7H,3H2,(H,12,13)
InChI Key:
JLQNYZVOGFPUEQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cncc1)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:
0.3  
Properties