Home Other Building Blocks 4,4,4-trifluoro-3-(1-methyl-1H-imidazol-2-yl)butanoic acid hydrochloride

4,4,4-trifluoro-3-(1-methyl-1H-imidazol-2-yl)butanoic acid hydrochloride

CAS No.:
1803570-04-8
Catalog Number:
AG01BAC8
Molecular Formula:
C8H10ClF3N2O2
Molecular Weight:
258.6254
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Product Description
Catalog Number:
AG01BAC8
Chemical Name:
4,4,4-trifluoro-3-(1-methyl-1H-imidazol-2-yl)butanoic acid hydrochloride
CAS Number:
1803570-04-8
Molecular Formula:
C8H10ClF3N2O2
Molecular Weight:
258.6254
MDL Number:
MFCD28397594
IUPAC Name:
4,4,4-trifluoro-3-(1-methylimidazol-2-yl)butanoic acid;hydrochloride
InChI:
InChI=1S/C8H9F3N2O2.ClH/c1-13-3-2-12-7(13)5(4-6(14)15)8(9,10)11;/h2-3,5H,4H2,1H3,(H,14,15);1H
InChI Key:
FWRNZNNRKRWCDE-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(F)(F)F)c1nccn1C.Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.625g/mol
Monoisotopic Mass:
258.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties