1-chloro-2-(chloromethyl)-3-nitrosobenzene

C7H5Cl2NO — CID 169152038

IUPAC1-chloro-2-(chloromethyl)-3-nitrosobenzene
SMILESO=Nc1cccc(Cl)c1CCl
InChIInChI=1S/C7H5Cl2NO/c8-4-5-6(9)2-1-3-7(5)10-11/h1-3H,4H2
InChIKeyNODMYHXZBSKXGY-UHFFFAOYSA-N
MW190.03 g/mol
LogP3.48
Rot. Bonds2

About 1-chloro-2-(chloromethyl)-3-nitrosobenzene

1-chloro-2-(chloromethyl)-3-nitrosobenzene (PubChem CID 169152038) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-3-nitrosobenzene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-3-nitrosobenzene
PubChem CID169152038
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name1-chloro-2-(chloromethyl)-3-nitrosobenzene
SMILESO=Nc1cccc(Cl)c1CCl
InChIInChI=1S/C7H5Cl2NO/c8-4-5-6(9)2-1-3-7(5)10-11/h1-3H,4H2
InChIKeyNODMYHXZBSKXGY-UHFFFAOYSA-N
XLogP3.48
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-2-(nitrosomethyl)benzene
CID 54118768
(2,6-dinitrosophenyl)methanol
CID 89119958
3-[(2-chloro-6-nitrosophenyl)methoxy]-1-sulfanylpyrazole
CID 144783405
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
1,3,5-trichloro-2-[3-chloro-2-(chloromethyl)phenyl]benzene
CID 134617206
2-(2,6-dichlorophenyl)-1-nitrosoethanamine
CID 165356359
(2,6-dichlorophenyl)methyl thiohypochlorite
CID 141002030
1-chloro-2-(chloromethyl)-3-(2-phenylsulfanylethoxy)benzene
CID 114320786
1-chloro-2-(chloromethyl)-3-(2-methylsulfanylphenoxy)benzene
CID 63648869
(2,6-dichlorophenyl)methyl-methyldiazene
CID 123418574
3-chloro-2-(chloromethyl)-N,N-dipropylaniline
CID 28946264
1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
CID 139083206

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-3-nitrosobenzene?
The IUPAC name of 1-chloro-2-(chloromethyl)-3-nitrosobenzene (CID 169152038) is 1-chloro-2-(chloromethyl)-3-nitrosobenzene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-3-nitrosobenzene?
The canonical SMILES for 1-chloro-2-(chloromethyl)-3-nitrosobenzene is O=Nc1cccc(Cl)c1CCl.
What is the InChIKey of 1-chloro-2-(chloromethyl)-3-nitrosobenzene?
The InChIKey is NODMYHXZBSKXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-4-5-6(9)2-1-3-7(5)10-11/h1-3H,4H2.
What are the key properties of 1-chloro-2-(chloromethyl)-3-nitrosobenzene?
1-chloro-2-(chloromethyl)-3-nitrosobenzene has a molecular weight of 190.03 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-3-nitrosobenzene is sourced from PubChem (CID 169152038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).