1,3-dichloro-2-(nitrosomethyl)benzene

C7H5Cl2NO — CID 54118768

IUPAC1,3-dichloro-2-(nitrosomethyl)benzene
SMILESO=NCc1c(Cl)cccc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-3H,4H2
InChIKeyNMDYSTTUVYHTMQ-UHFFFAOYSA-N
MW190.03 g/mol
LogP3.26
Rot. Bonds2

About 1,3-dichloro-2-(nitrosomethyl)benzene

1,3-dichloro-2-(nitrosomethyl)benzene (PubChem CID 54118768) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is 1,3-dichloro-2-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(nitrosomethyl)benzene
PubChem CID54118768
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name1,3-dichloro-2-(nitrosomethyl)benzene
SMILESO=NCc1c(Cl)cccc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-3H,4H2
InChIKeyNMDYSTTUVYHTMQ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2,6-dichlorophenyl)-1-nitrosoethanamine
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CID 90975390
1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
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CID 141002030
2-(2,6-dichlorophenyl)ethylazanium
CID 6951285
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(nitrosomethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(nitrosomethyl)benzene (CID 54118768) is 1,3-dichloro-2-(nitrosomethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(nitrosomethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(nitrosomethyl)benzene is O=NCc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(nitrosomethyl)benzene?
The InChIKey is NMDYSTTUVYHTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-3H,4H2.
What are the key properties of 1,3-dichloro-2-(nitrosomethyl)benzene?
1,3-dichloro-2-(nitrosomethyl)benzene has a molecular weight of 190.03 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(nitrosomethyl)benzene is sourced from PubChem (CID 54118768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).