SARS-CoV-2-IN-13

CAT: 0127-BUP08581-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08581-01Size:5 mg

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

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CAS Number

56961-10-5

Purity

=98%

Smiles

Oc1ccc(Cl)cc1C(=O)Nc1ccc(c(Cl)c1)[N+]([O-])=O

Chemical Information

SARS-CoV-2-IN-13

CAS Number	56961-10-5
PubChem CID	19027407
IUPAC Name	5-chloro-N-(3-chloro-4-nitrophenyl)-2-hydroxybenzamide
Molecular Formula	C13H8Cl2N2O4
Molecular Weight	327.12
XLogP	4
Topological Polar Surface Area	95.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	404

SMILES

C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-8-2-3-11(17(20)21)10(15)6-8/h1-6,18H,(H,16,19)

InChIKey

FKLGWJUBUPDJJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56961-10-5

CID: 19027407

Formula: C13H8Cl2N2O4

MW: 327.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.12
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	325.9861121
Monoisotopic Mass	325.9861121
Topological Polar Surface Area	95.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	404
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
BA2293-5.1	SARS-CoV-2-IN-13
GTR19261808-01	SARS-CoV-2 Mpro-IN-13
HY-149264-01	SARS-CoV-2 3CLpro-IN-13
abx620060-01	SARS-CoV-2 Non-Structural Protein 13
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