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Home > Fluorides > 1342051-08-4
1342051-08-4 | 1,1,1-Trifluoro-3-(1H-pyrazol-1-yl)propan-2-ol
CAS No: 1342051-08-4 Catalog No: AG01FHCT MDL No:MFCD19602661
Product Description
Catalog Number:
AG01FHCT
Chemical Name:
1,1,1-Trifluoro-3-(1H-pyrazol-1-yl)propan-2-ol
CAS Number:
1342051-08-4
Molecular Formula:
C6H7F3N2O
Molecular Weight:
180.1278
MDL Number:
MFCD19602661
IUPAC Name:
1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
InChI:
InChI=1S/C6H7F3N2O/c7-6(8,9)5(12)4-11-3-1-2-10-11/h1-3,5,12H,4H2
InChI Key:
AVVVVWXOVBGHKI-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)Cn1cccn1
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:
0.7
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