Home Other Building Blocks 1,1,1-trifluoro-3-(1H-imidazol-1-yl)propan-2-ol

1,1,1-trifluoro-3-(1H-imidazol-1-yl)propan-2-ol

CAS No.:
1343763-62-1
Catalog Number:
AG01DVVO
Molecular Formula:
C6H7F3N2O
Molecular Weight:
180.1278
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Product Description
Catalog Number:
AG01DVVO
Chemical Name:
1,1,1-trifluoro-3-(1H-imidazol-1-yl)propan-2-ol
CAS Number:
1343763-62-1
Molecular Formula:
C6H7F3N2O
Molecular Weight:
180.1278
MDL Number:
MFCD19602657
IUPAC Name:
1,1,1-trifluoro-3-imidazol-1-ylpropan-2-ol
InChI:
InChI=1S/C6H7F3N2O/c7-6(8,9)5(12)3-11-2-1-10-4-11/h1-2,4-5,12H,3H2
InChI Key:
HPXDNDMIZLIWCN-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)Cn1cncc1
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.13g/mol
Monoisotopic Mass:
180.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties