C1=C(C(=CC(=C1Cl)Cl)Cl)[N+](=O)[O-]
CAS: 89-69-0
Name: 1,2,4-trichloro-5-nitrobenzene
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)[N+](=O)[O-]

Molecular Processing

Molecular formula
C6H2Cl3NO2
Molecular weight
226.45
Exact mass
224.9151
XLogP
3.56
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.13

Supplementary Information

InChIKey: IBRBMZRLVYKVRF-UHFFFAOYSA-N
Synonyme
2,4,5-TRICHLORONITROBENZENE1,2,4-Trichloro-5-nitrobenzene89-69-0Benzene, 1,2,4-trichloro-5-nitro-1-Nitro-2,4,5-trichlorobenzene5-Nitro-1,2,4-trichlorobenzene2,4,5-trichloro-1-nitrobenzene3,4,6-TrichloronitrobenzeneMFCD00007072DTXSID50262030YFY8PZD2M1,4,5-Trichloro-2-nitrobenzeneNSC-50660NSC-56980NSC-609752,5-TrichloronitrobenzeneWLN: WNR BG DG EG1,4-Trichloro-5-nitrobenzeneBenzene,2,4-trichloro-5-nitro-2,4,5-Trichloronitrobenzene- 13C6EINECS 201-931-7NSC 50660BRN 19590661,2,4-trichloro-5-nitro-benzeneNSC60975UNII-0YFY8PZD2MMLS0021528572,4,5-trichloronitro-benzeneDTXCID206203SCHEMBL1626066
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