SMR000071098

CAT: 0013-GTR19196460-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19196460-01Size:25 mg

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

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Description

SMR000071098

CAS Number

429653-28-1

Field of Research

Infectious Disease & Virology

Smiles

OC1=C (C=CC2=C1C=CC=C2) C=3C=C (NN3) C4=CC=CO4

Molecular Formula

C17H12N2O2

Molecular Weight

276.29

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-(5-(furan-2-yl)-1H-pyrazol-3-yl)naphthalen-1-ol

CAS Number	429653-28-1
PubChem CID	719865
IUPAC Name	2-[5-(furan-2-yl)-1H-pyrazol-3-yl]naphthalen-1-ol
Molecular Formula	C17H12N2O2
Molecular Weight	276.29
XLogP	3.5
Topological Polar Surface Area	62.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	365

SMILES

C1=CC=C2C(=C1)C=CC(=C2O)C3=NNC(=C3)C4=CC=CO4

InChI

InChI=1S/C17H12N2O2/c20-17-12-5-2-1-4-11(12)7-8-13(17)14-10-15(19-18-14)16-6-3-9-21-16/h1-10,20H,(H,18,19)

InChIKey

AUFKOSNMJAYSCA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 429653-28-1

CID: 719865

Formula: C17H12N2O2

MW: 276.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.29
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	276.089877630
Monoisotopic Mass	276.089877630
Topological Polar Surface Area	62.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	365
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
MBS5778492	SMR000071098