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1- (4-Fluorophenyl) guanidine

CAT: 0127-PC106348Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
65783-21-3
Purity
=95%
Smiles
NC(=N)Nc1ccc(F)cc1

Chemical Information

1-(4-Fluorophenyl)guanidine
CAS Number65783-21-3
PubChem CID1549311
IUPAC Name2-(4-fluorophenyl)guanidine
Molecular FormulaC7H8FN3
Molecular Weight153.16
XLogP0.5
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity146
SMILES
C1=CC(=CC=C1N=C(N)N)F
InChI
InChI=1S/C7H8FN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKey
STTLMODNENPLQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Fluorophenyl)guanidine
CAS: 65783-21-3
CID: 1549311
Formula: C7H8FN3
MW: 153.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.16
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass153.07022543
Monoisotopic Mass153.07022543
Topological Polar Surface Area64.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity146
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

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