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CAT: 0607-BA4986-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4986-50Size:50 mg

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

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CAS Number

326901-92-2

Form

A solid

Molecular Formula

C13H8Cl2N2O2S

Molecular Weight

327.19

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

1-((2,5-Dichlorophenyl)sulfonyl)-1H-benzimidazole

CAS Number	326901-92-2
PubChem CID	684718
IUPAC Name	1-(2,5-dichlorophenyl)sulfonylbenzimidazole
Molecular Formula	C13H8Cl2N2O2S
Molecular Weight	327.2
XLogP	3.9
Topological Polar Surface Area	60.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	454

SMILES

C1=CC=C2C(=C1)N=CN2S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H

InChIKey

PXUHMEZESKEPKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 326901-92-2

CID: 684718

Formula: C13H8Cl2N2O2S

MW: 327.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.2
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	325.9683541
Monoisotopic Mass	325.9683541
Topological Polar Surface Area	60.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	454
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