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Home > Fluorides > 1597172-98-9
1597172-98-9 | "1-(2,2-difluoroethyl)-1H-pyrazol-4-ol"
CAS No: 1597172-98-9 Catalog No: AG01FM85 MDL No:MFCD30483654
Product Description
Catalog Number:
AG01FM85
Chemical Name:
"1-(2,2-difluoroethyl)-1H-pyrazol-4-ol"
CAS Number:
1597172-98-9
Molecular Formula:
C5H6F2N2O
Molecular Weight:
148.1107
MDL Number:
MFCD30483654
IUPAC Name:
1-(2,2-difluoroethyl)pyrazol-4-ol
InChI:
InChI=1S/C5H6F2N2O/c6-5(7)3-9-2-4(10)1-8-9/h1-2,5,10H,3H2
InChI Key:
QJXRBBINZQXWEY-UHFFFAOYSA-N
SMILES:
FC(Cn1ncc(c1)O)F
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.113g/mol
Monoisotopic Mass:
148.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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