4-chloro-1-methyl-2-(nitrosomethyl)benzene

C8H8ClNO — CID 142051327

IUPAC4-chloro-1-methyl-2-(nitrosomethyl)benzene
SMILESCc1ccc(Cl)cc1CN=O
InChIInChI=1S/C8H8ClNO/c1-6-2-3-8(9)4-7(6)5-10-11/h2-4H,5H2,1H3
InChIKeyHHWVRBUCXCLOQL-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.91
Rot. Bonds2

About 4-chloro-1-methyl-2-(nitrosomethyl)benzene

4-chloro-1-methyl-2-(nitrosomethyl)benzene (PubChem CID 142051327) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-(nitrosomethyl)benzene.

Molecular Properties

Compound Name4-chloro-1-methyl-2-(nitrosomethyl)benzene
PubChem CID142051327
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name4-chloro-1-methyl-2-(nitrosomethyl)benzene
SMILESCc1ccc(Cl)cc1CN=O
InChIInChI=1S/C8H8ClNO/c1-6-2-3-8(9)4-7(6)5-10-11/h2-4H,5H2,1H3
InChIKeyHHWVRBUCXCLOQL-UHFFFAOYSA-N
XLogP2.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
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4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
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4-chloro-1-ethyl-2-(isocyanatomethyl)benzene
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1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411
3-(5-chloro-2-methylphenyl)-2-methylpropanenitrile
CID 83637230
3-(5-chloro-2-methylphenyl)propyl acetate
CID 18984733
(2R)-3-(5-chloro-2-methylphenyl)-2-(dimethylamino)propanoic acid
CID 94687971
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-(nitrosomethyl)benzene?
The IUPAC name of 4-chloro-1-methyl-2-(nitrosomethyl)benzene (CID 142051327) is 4-chloro-1-methyl-2-(nitrosomethyl)benzene.
What is the SMILES notation for 4-chloro-1-methyl-2-(nitrosomethyl)benzene?
The canonical SMILES for 4-chloro-1-methyl-2-(nitrosomethyl)benzene is Cc1ccc(Cl)cc1CN=O.
What is the InChIKey of 4-chloro-1-methyl-2-(nitrosomethyl)benzene?
The InChIKey is HHWVRBUCXCLOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-6-2-3-8(9)4-7(6)5-10-11/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-1-methyl-2-(nitrosomethyl)benzene?
4-chloro-1-methyl-2-(nitrosomethyl)benzene has a molecular weight of 169.61 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-(nitrosomethyl)benzene is sourced from PubChem (CID 142051327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).