SARS-CoV-2-IN-39

CAT: 0607-BA2295-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2295-5Size:5 mg

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CAS Number

2882823-03-0

Form

A solid

Molecular Formula

C14H8ClF4NO3

Molecular Weight

349.66

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

SARS-CoV-2-IN-39

CAS Number	2882823-03-0
PubChem CID	166523088
IUPAC Name	5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethoxy)phenyl]benzamide
Molecular Formula	C14H8ClF4NO3
Molecular Weight	349.66
XLogP	4.9
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	415

SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2O)F)Cl)OC(F)(F)F

InChI

InChI=1S/C14H8ClF4NO3/c15-10-5-9(12(21)6-11(10)16)13(22)20-7-1-3-8(4-2-7)23-14(17,18)19/h1-6,21H,(H,20,22)

InChIKey

AGOOHZQXJABZCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2882823-03-0

CID: 166523088

Formula: C14H8ClF4NO3

MW: 349.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.66
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	349.0128835
Monoisotopic Mass	349.0128835
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	415
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
BUP05054-01	SARS-CoV-2-IN-39
GTR19258071-01	SARS-CoV-2 Mpro-IN-39
GTR18678023-01	SARS-CoV/SARS-CoV-2 Spike Antibody
AS179347-01	SARS-CoV-IN-2
553226	SARS-CoV-2
Oneq-S827-150R	SARS CoV-2
C21524-50uL	SARS-CoV/SARS-CoV-2 Nucleocapsid Antibody [E8H21]
GTR18595045-01	SARS CoV/SARS CoV 2 Spike Human mAb