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1- (2-Fluorophenyl) -1H-pyrazole

CAT: 0127-PC902185-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC902185-01Size:1 g
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CAS Number
35715-66-3
MDL Number
MFCD10699187
Purity
98%
Smiles
Fc1ccccc1n2cccn2

Chemical Information

1-(2-Fluorophenyl)-1H-pyrazole
CAS Number35715-66-3
PubChem CID20481681
IUPAC Name1-(2-fluorophenyl)pyrazole
Molecular FormulaC9H7FN2
Molecular Weight162.16
XLogP2.3
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
C1=CC=C(C(=C1)N2C=CC=N2)F
InChI
InChI=1S/C9H7FN2/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H
InChIKey
NXBJGOUCISMVSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Fluorophenyl)-1H-pyrazole
CAS: 35715-66-3
CID: 20481681
Formula: C9H7FN2
MW: 162.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight162.16
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass162.05932639
Monoisotopic Mass162.05932639
Topological Polar Surface Area17.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes