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

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

CAS No.:
1909337-87-6
Catalog Number:
AG01B1Z0
Molecular Formula:
C7H8ClF3N2O2
Molecular Weight:
244.5988
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Product Description
Catalog Number:
AG01B1Z0
Chemical Name:
4,4,4-trifluoro-3-(1H-imidazol-1-yl)butanoic acid hydrochloride
CAS Number:
1909337-87-6
Molecular Formula:
C7H8ClF3N2O2
Molecular Weight:
244.5988
MDL Number:
MFCD29907246
IUPAC Name:
4,4,4-trifluoro-3-imidazol-1-ylbutanoic acid;hydrochloride
InChI:
InChI=1S/C7H7F3N2O2.ClH/c8-7(9,10)5(3-6(13)14)12-2-1-11-4-12;/h1-2,4-5H,3H2,(H,13,14);1H
InChI Key:
NUBYTVNOOOEZQS-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(F)(F)F)n1cncc1.Cl
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.023g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.598g/mol
Monoisotopic Mass:
244.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties