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3- (4-Fluorophenyl) -1-methylguanidine

CAT: 0926-ZZB68601-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ZZB68601-01Size:50 mg
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CAS Number
1249686-01-8
MDL Number
MFCD16743343
Smiles
CN=C (N) NC1=CC=C (C=C1) F
Molecular Formula
C8H10FN3
Molecular Weight
167.18 g/mol
Controlled
No

Chemical Information

3-(4-Fluorophenyl)-1-methylguanidine
CAS Number1249686-01-8
PubChem CID20434456
IUPAC Name1-(4-fluorophenyl)-2-methylguanidine
Molecular FormulaC8H10FN3
Molecular Weight167.18
XLogP1.2
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
CN=C(N)NC1=CC=C(C=C1)F
InChI
InChI=1S/C8H10FN3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3,(H3,10,11,12)
InChIKey
UTPIZBCPKGPCCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluorophenyl)-1-methylguanidine
CAS: 1249686-01-8
CID: 20434456
Formula: C8H10FN3
MW: 167.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.18
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass167.08587549
Monoisotopic Mass167.08587549
Topological Polar Surface Area50.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
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