nitrous acid;1,2,4-trichlorobenzene

C6H4Cl3NO2 — CID 174763822

IUPACnitrous acid;1,2,4-trichlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1.O=NO
InChIInChI=1S/C6H3Cl3.HNO2/c7-4-1-2-5(8)6(9)3-4;2-1-3/h1-3H;(H,2,3)
InChIKeyVNAXUEBUDPSUDS-UHFFFAOYSA-N
MW228.46 g/mol
LogP3.79
Rot. Bonds

About nitrous acid;1,2,4-trichlorobenzene

nitrous acid;1,2,4-trichlorobenzene (PubChem CID 174763822) has the molecular formula C6H4Cl3NO2 and a molecular weight of 228.46 g/mol. Its IUPAC name is nitrous acid;1,2,4-trichlorobenzene.

Molecular Properties

Compound Namenitrous acid;1,2,4-trichlorobenzene
PubChem CID174763822
Molecular FormulaC6H4Cl3NO2
Molecular Weight228.46 g/mol
Exact Mass226.93
IUPAC Namenitrous acid;1,2,4-trichlorobenzene
SMILESClc1ccc(Cl)c(Cl)c1.O=NO
InChIInChI=1S/C6H3Cl3.HNO2/c7-4-1-2-5(8)6(9)3-4;2-1-3/h1-3H;(H,2,3)
InChIKeyVNAXUEBUDPSUDS-UHFFFAOYSA-N
XLogP3.79
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;1,2,4-trichlorobenzene
CID 157397102
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
sulfuryl dichloride;1,2,4-trichlorobenzene
CID 77134549
1,2-dichlorobenzene;1,2,4-trichlorobenzene
CID 161216251
formonitrile;1,2,4-trichlorobenzene
CID 174386520
chloro dihydrogen phosphate;1,2,4-trichlorobenzene
CID 68982489
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
2,4-dichlorophenol;2,5-dichlorophenol;3,4-dichlorophenol
CID 160811430
2,4-dichloro(14C)benzoic acid
CID 10726423

Frequently Asked Questions

What is the IUPAC name of nitrous acid;1,2,4-trichlorobenzene?
The IUPAC name of nitrous acid;1,2,4-trichlorobenzene (CID 174763822) is nitrous acid;1,2,4-trichlorobenzene.
What is the SMILES notation for nitrous acid;1,2,4-trichlorobenzene?
The canonical SMILES for nitrous acid;1,2,4-trichlorobenzene is Clc1ccc(Cl)c(Cl)c1.O=NO.
What is the InChIKey of nitrous acid;1,2,4-trichlorobenzene?
The InChIKey is VNAXUEBUDPSUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3.HNO2/c7-4-1-2-5(8)6(9)3-4;2-1-3/h1-3H;(H,2,3).
What are the key properties of nitrous acid;1,2,4-trichlorobenzene?
nitrous acid;1,2,4-trichlorobenzene has a molecular weight of 228.46 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;1,2,4-trichlorobenzene is sourced from PubChem (CID 174763822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).