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5,6-dichloro-2-ethyl-1H-1,3-benzodiazole

5,6-dichloro-2-ethyl-1H-1,3-benzodiazole

CAS: 90348-42-8

Formula: C9H8Cl2N2

SMILES: CCC1=NC2=CC(Cl)=C(Cl)C=C2N1

IUPAC: 5,6-dichloro-2-ethyl-1H-1,3-benzodiazole

InChI: InChI=1S/C9H8Cl2N2/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2H2,1H3,(H,12,13)

Composition: C (50.26%), H (3.75%), Cl (32.96%), N (13.03%)

Molar Mass: 215.08

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 214.0064537
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey TUAVLJUMDKFUGC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.65
Topological Polar Surface Area 28.68
Polarizability 22.02
Ring Count 2
Rotatable Bond Count 1

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