4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole

• CAS: 142246-48-8
• Catalog Number: ACM142246488
• Category: Organic & Printed Electronics
• Molecular Weight: 253.06g/mol
• Molecular Formula: C6H2Cl2N2O3S
• Synonyms: 4-CHLORO-2,1,3-BENZOXADIAZOLE-7-SULFONYL CHLORIDE;4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE;4-CHLORO-7-CHLOROSULFONYLBENZOFURAZAN;4-CHLORO-7-CHLOROSULPHONYL-2,1,3-BENZOXADIAZOLE;7-CHLORO-BENZO[1,2,5]OXADIAZOLE-4-SULFONYL CHLORIDE;7-CHLORO-2,1,3-BENZO
• IUPAC Name: 4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride
• Canonical SMILES: C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H
• InChI Key: BPPRLMZEVZSIIJ-UHFFFAOYSA-N
• Complexity: 318
• Covalently-Bonded Unit Count: 1
• Exact Mass: 251.916318g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Monoisotopic Mass: 251.916318g/mol
• Rotatable Bond Count: 1
• XLogP3: 1.8

Custom Q&A

What is the molecular formula of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?

The molecular formula is C6H2Cl2N2O3S.

What is the molecular weight of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?

The molecular weight is 253.06 g/mol.

What is the IUPAC name of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?

The IUPAC name is 4-chloro-2,1,3-benzoxadiazole-7-sulfonyl chloride.

What is the InChI of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?

The InChI is InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H.

What is the InChIKey of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?

The InChIKey is BPPRLMZEVZSIIJ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?

The canonical SMILES is C1=C(C2=NON=C2C(=C1)Cl)S(=O)(=O)Cl.

What is the CAS number of 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole?

The CAS number is 142246-48-8.

How many hydrogen bond acceptors does 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole have?

It has 5 hydrogen bond acceptors.

How many rotatable bonds does 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole have?

It has 1 rotatable bond.

Is 4-Chloro-7-chlorosulfonyl-2,1,3-benzoxadiazole a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.