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2,5-dichloro-3,4-dinitrothiophene

2,5-dichloro-3,4-dinitrothiophene

CAS: 51584-21-5

Formula: C4Cl2N2O4S

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

IUPAC: 2,5-dichloro-3,4-dinitrothiophene

InChI: InChI=1S/C4Cl2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3

Composition: C (19.77%), H (0.00%), Cl (29.18%), N (11.53%), O (26.33%), S (13.19%)

Molar Mass: 243.01

Atom Count: 13

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.8955831
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UNRSLHGBQKYYSF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.73
Topological Polar Surface Area 86.28
Polarizability 17.33
Ring Count 1
Rotatable Bond Count 2

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