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Compound Fr12413

CAT: 0931-Fr12413-02Size: 2 gDry Ice: NoHazardous: No
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CAT#:0931-Fr12413-02Size:2 g
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CAS Number
18851-33-7
Bioactivity
Compound Fr12413, with CAS No. 18851-33-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12413 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
O.Cl.c1cnc2c(c1)ccc1cccnc21
Molecular Formula
C12H8N2.ClH
Molecular Weight
234.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,10-Phenanthroline monohydrochloride monohydrate

1,10-Phenanthroline monohydrochloride monohydrate is a member of phenanthrolines.

CAS Number18851-33-7
PubChem CID2723715
IUPAC Name1,10-phenanthroline;hydrate;hydrochloride
Molecular FormulaC12H11ClN2O
Molecular Weight234.68
Topological Polar Surface Area26.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity182
SMILES
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O.Cl
InChI
InChI=1S/C12H8N2.ClH.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-8H;1H;1H2
InChIKey
NDLHUHRGAIHALB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,10-Phenanthroline monohydrochloride monohydrate
CAS: 18851-33-7
CID: 2723715
Formula: C12H11ClN2O
MW: 234.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass234.0559907
Monoisotopic Mass234.0559907
Topological Polar Surface Area26.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr12613-01Compound Fr12613
Fr12403-01Compound Fr12403
Fr12463-01Compound Fr12463
Fr12431-01Compound Fr12431
Fr12313-01Compound Fr12313
Fr12473-01Compound Fr12473
Fr12513-01Compound Fr12513
Fr12483-01Compound Fr12483
Fr12412-01Compound Fr12412
Fr12813-01Compound Fr12813

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C5824-10GPR120 Compound A
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B7337-5Compound 401
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HY-14176-01Compound E
HY-U00358Compound 2
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