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86770-87-8 | 3H-Pyrazole, 4-(fluoromethylene)-4,5-dihydro-
CAS No: 86770-87-8 Catalog No: AG004JIK MDL No:
Product Description
Catalog Number:
AG004JIK
Chemical Name:
3H-Pyrazole, 4-(fluoromethylene)-4,5-dihydro-
CAS Number:
86770-87-8
Molecular Formula:
C4H5FN2
Molecular Weight:
100.0943
IUPAC Name:
4-(fluoromethylidene)-3,5-dihydropyrazole
InChI:
InChI=1S/C4H5FN2/c5-1-4-2-6-7-3-4/h1H,2-3H2
InChI Key:
BMYPDNMDZWIZHU-UHFFFAOYSA-N
SMILES:
FC=C1CN=NC1
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.044g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.096g/mol
Monoisotopic Mass:
100.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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