CRBN ligand-11

CAT: 0127-PC1008546-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1008546-01Size:250 mg

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CAS Number

2962967-27-5

Purity

98%

Smiles

O=C (C (NC1=CC=C (Br) C (F) =C1) CC2) NC2=O

Chemical Information

Crbn ligand-11

CAS Number	2962967-27-5
PubChem CID	176186417
IUPAC Name	3-(4-bromo-3-fluoroanilino)piperidine-2,6-dione
Molecular Formula	C11H10BrFN2O2
Molecular Weight	301.11
XLogP	1.9
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	327

SMILES

C1CC(=O)NC(=O)C1NC2=CC(=C(C=C2)Br)F

InChI

InChI=1S/C11H10BrFN2O2/c12-7-2-1-6(5-8(7)13)14-9-3-4-10(16)15-11(9)17/h1-2,5,9,14H,3-4H2,(H,15,16,17)

InChIKey

FLHIBZQROGIVEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2962967-27-5

CID: 176186417

Formula: C11H10BrFN2O2

MW: 301.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.11
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	299.99097
Monoisotopic Mass	299.99097
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes