Cloflubicyne 5mg

CAT: 0628-A13932-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A13932-5Size:5 mg

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CAS Number

224790-70-9

Chemical Information

Cloflubicyne

CAS Number	224790-70-9
PubChem CID	5067794
IUPAC Name	5,6-dichloro-3,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane-2,2-dicarbonitrile
Molecular Formula	C11H6Cl2F6N2
Molecular Weight	351.07
XLogP	3.8
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	535

SMILES

C1C2C(C(C1C(C2(C#N)C#N)(C(F)(F)F)C(F)(F)F)Cl)Cl

InChI

InChI=1S/C11H6Cl2F6N2/c12-6-4-1-5(7(6)13)9(10(14,15)16,11(17,18)19)8(4,2-20)3-21/h4-7H,1H2

InChIKey

NTESZNJQNKSALM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 224790-70-9

CID: 5067794

Formula: C11H6Cl2F6N2

MW: 351.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.07
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	349.9812226
Monoisotopic Mass	349.9812226
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	535
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-300382	Cloflubicyne