ML353

CAT: 0607-BA5581-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5581-10Size:10 mg

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

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CAS Number

2990506-75-5

Form

A solid

Molecular Formula

C19H15FN2O

Molecular Weight

306.33

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

(3-Azabicyclo[3.1.0]hexan-3-yl)(5-((3-fluorophenyl)ethynyl)pyridin-2-yl)methanone

CAS Number	2990506-75-5
PubChem CID	70789094
IUPAC Name	3-azabicyclo[3.1.0]hexan-3-yl-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone
Molecular Formula	C19H15FN2O
Molecular Weight	306.3
XLogP	3.2
Topological Polar Surface Area	33.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	526

SMILES

C1C2C1CN(C2)C(=O)C3=NC=C(C=C3)C#CC4=CC(=CC=C4)F

InChI

InChI=1S/C19H15FN2O/c20-17-3-1-2-13(8-17)4-5-14-6-7-18(21-10-14)19(23)22-11-15-9-16(15)12-22/h1-3,6-8,10,15-16H,9,11-12H2

InChIKey

PEDQCOLPUZUUGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2990506-75-5

CID: 70789094

Formula: C19H15FN2O

MW: 306.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.3
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	306.11684127
Monoisotopic Mass	306.11684127
Topological Polar Surface Area	33.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T67917-01	ML353
GTR19155423-01	ML353 (VU0478006)