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Compound PDK0307

CAT: 0931-PDK0307-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0307-01Size:200 mg
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CAS Number
6174-86-3
Bioactivity
Compound PDK0307, with CAS No. 6174-86-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0307 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
Cc1c(Cl)c(=O)oc2cc(O)ccc12
Molecular Formula
C10H7ClO3
Molecular Weight
210.614
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chlorferon

Chlorferron is an organochlorine compound. It is functionally related to a 4-methylumbelliferone.

CAS Number6174-86-3
PubChem CID5355079
IUPAC Name3-chloro-7-hydroxy-4-methylchromen-2-one
Molecular FormulaC10H7ClO3
Molecular Weight210.61
XLogP2.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity298
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)O)Cl
InChI
InChI=1S/C10H7ClO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3
InChIKey
ODZHLDRQCZXQFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorferon
CAS: 6174-86-3
CID: 5355079
Formula: C10H7ClO3
MW: 210.61
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight210.61
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass210.0083718
Monoisotopic Mass210.0083718
Topological Polar Surface Area46.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity298
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