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2,3,4-trichloronitrobenzene

2,3,4-trichloronitrobenzene

CAS: 17700-09-3

Formula: C6H2Cl3NO2

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

IUPAC: 1,2,3-trichloro-4-nitrobenzene

InChI: InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

Composition: C (31.83%), H (0.89%), Cl (46.97%), N (6.19%), O (14.13%)

Molar Mass: 226.44

Atom Count: 14

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.9151114
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BGKIECJVXXHLDP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.79
Topological Polar Surface Area 43.14
Polarizability 18.18
Ring Count 1
Rotatable Bond Count 1

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