ELOVL1-IN-2

CAT: 0127-BUP06152-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06152-01Size:5 mg

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

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CAS Number

2761063-79-8

Purity

=98%

Smiles

O(CCC1=CC=C(F)C=C1)C=2C=CC(=CN2)C=3C=CC=NC3

Chemical Information

Elovl1-IN-2

CAS Number	2761063-79-8
PubChem CID	163196433
IUPAC Name	2-[2-(4-fluorophenyl)ethoxy]-5-pyridin-3-ylpyridine
Molecular Formula	C18H15FN2O
Molecular Weight	294.3
XLogP	3.8
Topological Polar Surface Area	35
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	320

SMILES

C1=CC(=CN=C1)C2=CN=C(C=C2)OCCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O/c19-17-6-3-14(4-7-17)9-11-22-18-8-5-16(13-21-18)15-2-1-10-20-12-15/h1-8,10,12-13H,9,11H2

InChIKey

ORFSLMVMPYSSHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2761063-79-8

CID: 163196433

Formula: C18H15FN2O

MW: 294.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.3
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	294.11684127
Monoisotopic Mass	294.11684127
Topological Polar Surface Area	35 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	320
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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BUP11903-01	ELOVL1-IN-1
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