SARS-CoV-2-IN-14

CAT: 0127-BUP13745-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13745-01Size:10 mg

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CAS Number

22203-98-1

Synonyms

3',5-Dichlorosalicylanilide

Purity

=98%

Smiles

C(NC1=CC(Cl)=CC=C1)(=O)C2=C(O)C=CC(Cl)=C2

Chemical Information

3',5-Dichlorosalicylanilide

CAS Number	22203-98-1
PubChem CID	20196
IUPAC Name	5-chloro-N-(3-chlorophenyl)-2-hydroxybenzamide
Molecular Formula	C13H9Cl2NO2
Molecular Weight	282.12
XLogP	4.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	301

SMILES

C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-13(18)11-7-9(15)4-5-12(11)17/h1-7,17H,(H,16,18)

InChIKey

NXDGLRGDIKDWIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22203-98-1

CID: 20196

Formula: C13H9Cl2NO2

MW: 282.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.12
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	281.0010339
Monoisotopic Mass	281.0010339
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	301
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
T60538-01	SARS-CoV-2-IN-14
GTR19230522-01	SARS-CoV-2 3CLpro-IN-14
HY-163211-01	SARS-CoV-2 Mpro-IN-14
GTR18678023-01	SARS-CoV/SARS-CoV-2 Spike Antibody
BA1949-5	SARS-CoV-IN-2
553226	SARS-CoV-2
Oneq-S827-150R	SARS CoV-2