YM-53601

CAT: 0926-BY183268-01Size: 0.1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-BY183268-01Size:0.1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

182959-33-7

MDL Number

MFCD06411577

Smiles

O (C/C (/F) =C\1/C2CCN (C1) CC2) C=3C=C4C (C=5C (N4) =CC=CC5) =CC3.Cl

Molecular Formula

C21H21FN2O•HCl

Molecular Weight

372.86 g/mol

Controlled

Chemical Information

2-{[(2E)-2-(1-Azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethyl]oxy}-9H-carbazole

CAS Number	182959-33-7
PubChem CID	60196293
IUPAC Name	2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride
Molecular Formula	C21H22ClFN2O
Molecular Weight	372.9
Topological Polar Surface Area	28.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	528

SMILES

C1CN2CCC1/C(=C(/COC3=CC4=C(C=C3)C5=CC=CC=C5N4)\F)/C2.Cl

InChI

InChI=1S/C21H21FN2O.ClH/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15;/h1-6,11,14,23H,7-10,12-13H2;1H/b19-18-;

InChIKey

JWXYVHMBPISIJQ-TVWXOORISA-N

Chemical Structure

2D Structure

CAS: 182959-33-7

CID: 60196293

Formula: C21H22ClFN2O

MW: 372.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	372.1404692
Monoisotopic Mass	372.1404692
Topological Polar Surface Area	28.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	528
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes