dichloromethylbenzene;nitrous acid

C7H7Cl2NO2 — CID 175092421

IUPACdichloromethylbenzene;nitrous acid
SMILESClC(Cl)c1ccccc1.O=NO
InChIInChI=1S/C7H6Cl2.HNO2/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5,7H;(H,2,3)
InChIKeyRWDKVLHAPOPGNE-UHFFFAOYSA-N
MW208.04 g/mol
LogP3.30
Rot. Bonds1

About dichloromethylbenzene;nitrous acid

dichloromethylbenzene;nitrous acid (PubChem CID 175092421) has the molecular formula C7H7Cl2NO2 and a molecular weight of 208.04 g/mol. Its IUPAC name is dichloromethylbenzene;nitrous acid.

Molecular Properties

Compound Namedichloromethylbenzene;nitrous acid
PubChem CID175092421
Molecular FormulaC7H7Cl2NO2
Molecular Weight208.04 g/mol
Exact Mass206.99
IUPAC Namedichloromethylbenzene;nitrous acid
SMILESClC(Cl)c1ccccc1.O=NO
InChIInChI=1S/C7H6Cl2.HNO2/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5,7H;(H,2,3)
InChIKeyRWDKVLHAPOPGNE-UHFFFAOYSA-N
XLogP3.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.04
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloromethylbenzene
CID 7411
dichloromethylbenzene;ethene
CID 157063786
dichloromethylbenzene;isocyanic acid
CID 88815786
dichloromethylbenzene;isocyanic acid
CID 88845451
[chloro(nitroso)methyl]benzene
CID 54497222
N'-hydroxy-2-nitroso-2-phenylethanimidamide
CID 123575008
nitrous acid;toluene
CID 156614054
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
(Chlorobenzyl)silane
CID 23051080
1,4-bis[nitroso(phenyl)methyl]benzene
CID 54419533
(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride
CID 124679301
3-chloro-3-phenylpropanoic acid
CID 22742526

Frequently Asked Questions

What is the IUPAC name of dichloromethylbenzene;nitrous acid?
The IUPAC name of dichloromethylbenzene;nitrous acid (CID 175092421) is dichloromethylbenzene;nitrous acid.
What is the SMILES notation for dichloromethylbenzene;nitrous acid?
The canonical SMILES for dichloromethylbenzene;nitrous acid is ClC(Cl)c1ccccc1.O=NO.
What is the InChIKey of dichloromethylbenzene;nitrous acid?
The InChIKey is RWDKVLHAPOPGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2.HNO2/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5,7H;(H,2,3).
What are the key properties of dichloromethylbenzene;nitrous acid?
dichloromethylbenzene;nitrous acid has a molecular weight of 208.04 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethylbenzene;nitrous acid is sourced from PubChem (CID 175092421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).