SARS-CoV-2-IN-7

CAT: 0607-BA2294-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2294-1Size:1 mg

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CAS Number

2570461-66-2

Form

A solid

Molecular Formula

C14H8F3NOSe

Molecular Weight

342.17

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

SARS-CoV-2-IN-7

CAS Number	2570461-66-2
PubChem CID	88621277
IUPAC Name	2-[3-(trifluoromethyl)phenyl]-1,2-benzoselenazol-3-one
Molecular Formula	C14H8F3NOSe
Molecular Weight	342.18
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	387

SMILES

C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C14H8F3NOSe/c15-14(16,17)9-4-3-5-10(8-9)18-13(19)11-6-1-2-7-12(11)20-18/h1-8H

InChIKey

AUNYFNONXIUSKI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2570461-66-2

CID: 88621277

Formula: C14H8F3NOSe

MW: 342.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.18
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	342.97232
Monoisotopic Mass	342.97232
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	387
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
T40207-01	SARS-CoV-2-IN-7
HY-173511	SARS-CoV-2 nsp13-IN-7
T72371-01	SARS-CoV-2 3CLpro-IN-7
MBS5820940	SARS-CoV-2 Mpro-IN-7
GTR18678025-01	SARS-CoV/SARS-CoV-2 Spike Antibody
T12838-01	SARS-CoV-IN-2
RT095A	SARS-CoV-2
MBS370467-01	SARS CoV-2