1-chloro-4-fluoro-2-methyl-5-nitrosobenzene

C7H5ClFNO — CID 89048368

IUPAC1-chloro-4-fluoro-2-methyl-5-nitrosobenzene
SMILESCc1cc(F)c(N=O)cc1Cl
InChIInChI=1S/C7H5ClFNO/c1-4-2-6(9)7(10-11)3-5(4)8/h2-3H,1H3
InChIKeyMYEIUJIQXIGKQZ-UHFFFAOYSA-N
MW173.57 g/mol
LogP3.19
Rot. Bonds1

About 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene

1-chloro-4-fluoro-2-methyl-5-nitrosobenzene (PubChem CID 89048368) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-methyl-5-nitrosobenzene
PubChem CID89048368
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name1-chloro-4-fluoro-2-methyl-5-nitrosobenzene
SMILESCc1cc(F)c(N=O)cc1Cl
InChIInChI=1S/C7H5ClFNO/c1-4-2-6(9)7(10-11)3-5(4)8/h2-3H,1H3
InChIKeyMYEIUJIQXIGKQZ-UHFFFAOYSA-N
XLogP3.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene?
The IUPAC name of 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene (CID 89048368) is 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene.
What is the SMILES notation for 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene?
The canonical SMILES for 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene is Cc1cc(F)c(N=O)cc1Cl.
What is the InChIKey of 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene?
The InChIKey is MYEIUJIQXIGKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO/c1-4-2-6(9)7(10-11)3-5(4)8/h2-3H,1H3.
What are the key properties of 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene?
1-chloro-4-fluoro-2-methyl-5-nitrosobenzene has a molecular weight of 173.57 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2-methyl-5-nitrosobenzene is sourced from PubChem (CID 89048368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).