4-chloro-1-[(4-chloro-2-nitrophenyl)disulfanyl]-2-nitrobenzene

4-chloro-1-[(4-chloro-2-nitrophenyl)disulfanyl]-2-nitrobenzene

CAS: 2050-66-0

Formula: C12H6Cl2N2O4S2

SMILES: [O-][N+](=O)C1=CC(Cl)=CC=C1SSC1=CC=C(Cl)C=C1[N+]([O-])=O

IUPAC: 4-chloro-1-[(4-chloro-2-nitrophenyl)disulfanyl]-2-nitrobenzene

InChI: InChI=1S/C12H6Cl2N2O4S2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H

Composition: C (38.21%), H (1.60%), Cl (18.80%), N (7.43%), O (16.97%), S (17.00%)

Molar Mass: 377.21

Atom Count: 28

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	375.9146044
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DESADCWXGJLRSR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	84.71
Topological Polar Surface Area	86.28
Polarizability	33.71
Ring Count	2
Rotatable Bond Count	5

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