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Compound FL0044

CAT: 0931-FL0044-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-FL0044-02Size:1 g
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CAS Number
345965-52-8
Bioactivity
Compound FL0044, with CAS No. 345965-52-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0044 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
OC(=O)C1(CC1)C1=CC=C(Br)C=C1
Molecular Formula
C10H9BrO2
Molecular Weight
241.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Bromophenyl)cyclopropane-1-carboxylic acid
CAS Number345965-52-8
PubChem CID16227966
IUPAC Name1-(4-bromophenyl)cyclopropane-1-carboxylic acid
Molecular FormulaC10H9BrO2
Molecular Weight241.08
XLogP2.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity215
SMILES
C1CC1(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C10H9BrO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
BYJIXWOWTNEVFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromophenyl)cyclopropane-1-carboxylic acid
CAS: 345965-52-8
CID: 16227966
Formula: C10H9BrO2
MW: 241.08
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.08
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass239.97859
Monoisotopic Mass239.97859
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity215
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
FL0244-01Compound FL0244
FL0048-01Compound FL0048
FL0040-01Compound FL0040
FL0024-01Compound FL0024
FL0004-01Compound FL0004
FL0047-01Compound FL0047
FL0041-01Compound FL0041
FL0034-01Compound FL0034
FL0014-01Compound FL0014
FL0072-01Compound FL0072

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