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Compound PDK0306

CAT: 0931-PDK0306-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0306-02Size:10 mg
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CAS Number
45964-97-4
Purity
0.97
Bioactivity
Compound PDK0306, with CAS No. 45964-97-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0306 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
NC(=N)Nc1ccc(Cl)cc1
Molecular Formula
C7H8ClN3
Molecular Weight
169.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-Chlorophenyl)guanidine

2-(4-chlorophenyl)guanidine is an organochlorine compound.

CAS Number45964-97-4
PubChem CID2757788
IUPAC Name2-(4-chlorophenyl)guanidine
Molecular FormulaC7H8ClN3
Molecular Weight169.61
XLogP1
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity146
SMILES
C1=CC(=CC=C1N=C(N)N)Cl
InChI
InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKey
ZSJNJAJDBNFVCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Chlorophenyl)guanidine
CAS: 45964-97-4
CID: 2757788
Formula: C7H8ClN3
MW: 169.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.61
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass169.0406750
Monoisotopic Mass169.0406750
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

Related Products

CatalogName
PDK0303-01Compound PDK0303
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PDK0300-01Compound PDK0300
PDK0307-01Compound PDK0307
PDK0360Compound PDK0360
PDK0396-01Compound PDK0396
PDK0036-01Compound PDK0036
PDK0346-01Compound PDK0346

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HY-U00358Compound 2
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HY-14176-01Compound E
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1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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