Thalidomide 5-fluoride

CAT: 0926-KIB61661-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-KIB61661-01Size:50 g

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CAS Number

835616-61-0

MDL Number

MFCD30188075

Smiles

C1CC (=O) NC (=O) C1N2C (=O) C3=C (C2=O) C=C (C=C3) F

Molecular Formula

C13H9FN2O4

Molecular Weight

276.22 g/mol

Controlled

Chemical Information

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione

CAS Number	835616-61-0
PubChem CID	70876201
IUPAC Name	2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
Molecular Formula	C13H9FN2O4
Molecular Weight	276.22
XLogP	0.4
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	507

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)F

InChI

InChI=1S/C13H9FN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)

InChIKey

MPQLCQKBYRSPNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 835616-61-0

CID: 70876201

Formula: C13H9FN2O4

MW: 276.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.22
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	276.05463493
Monoisotopic Mass	276.05463493
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	507
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

Catalog	Name
BT183201	Thalidomide-Cyanine 5
FT15648-01	(+/-) -Thalidomide
MKD68274-01	5-Bromofuran-2-sulfonyl fluoride
KCD27719-01	5-Nitropyridine-3-sulfonyl fluoride
MKD64505-01	8-Methylquinoline-5-sulfonyl fluoride
KYB86793-01	5-Fluoropyridine-2-sulfonyl fluoride
KCD64161-01	5-Nitropyridine-2-sulfonyl fluoride
JCD65254-01	5-Cyanopyridine-2-sulfonyl fluoride
JBD32725-01	5-Aminopyridine-3-sulfonyl fluoride
NKD27428-01	5-Methylfuran-2-sulfonyl fluoride

Catalog	Name
MBS5786286	Thalidomide 5-fluoride
HY-134983-01	Thalidomide-Piperazine 5-fluoride
MBS387025-01	Thalidomide fluoride
HY-W145436-01	Thalidomide-Piperazine 5-fluoride (hydrochloride)
GTR19233119-01	Thalidomide-Piperazine 5-fluoride hydrochloride
GTR19216453-01	Thalidomide 4-fluoride
A12144-5000	Thalidomide fluoride 5g
A12144-500	Thalidomide fluoride 500mg
A12144-1000	Thalidomide fluoride 1g
HY-W998239	Thalidomide 5-fluoride 6-piperidine-C-OH