BRN 3079396

4-(chloromethylsulfonyl)-N-[4-[4-[4-(chloromethylsulfonyl)-2-nitroanilino]phenyl]sulfanylphenyl]-2-nitroaniline

CAS: 56947-98-9

Molecular Formula	`C26H20Cl2N4O8S3`
Molecular Weight	683.6 g/mol
LogP	7.7
Topological Polar Surface Area	226.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	10
Exact Mass	681.98206
Heavy Atoms	43
Complexity	1070.0

Chemical Identifiers

CAS Number	56947-98-9
SMILES	`C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])SC3=CC=C(C=C3)NC4=C(C=C(C=C4)S(=O)(=O)CCl)[N+](=O)[O-]`
InChIKey	`CONQGENNIDUUPO-UHFFFAOYSA-N`

📖 Product Overview

BRN 3079396 (CAS: 56947-98-9) is a chemical compound with molecular formula C26H20Cl2N4O8S3 and molecular weight 683.6 g/mol. Its IUPAC systematic name is 4-(chloromethylsulfonyl)-N-[4-[4-[4-(chloromethylsulfonyl)-2-nitroanilino]phenyl]sulfanylphenyl]-2-nitroaniline. LogP 7.7 Topological Polar Surface Area 226.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 11 Rotatable Bonds 10 Exact Mass 681.98206 Heavy Atoms 43 Complexity 1070.0 InChI Key: CONQGENNIDUUPO-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])SC3=CC=C(C=C3)NC4=C(C=C(C=C4)S(=O)(=O)CCl)[N+](=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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