1-bromo-3-fluoro-2-methyl-5-nitrosobenzene

C7H5BrFNO — CID 170751728

IUPAC1-bromo-3-fluoro-2-methyl-5-nitrosobenzene
SMILESCc1c(F)cc(N=O)cc1Br
InChIInChI=1S/C7H5BrFNO/c1-4-6(8)2-5(10-11)3-7(4)9/h2-3H,1H3
InChIKeyVJPHCLBBZUQVKJ-UHFFFAOYSA-N
MW218.02 g/mol
LogP3.29
Rot. Bonds1

About 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene

1-bromo-3-fluoro-2-methyl-5-nitrosobenzene (PubChem CID 170751728) has the molecular formula C7H5BrFNO and a molecular weight of 218.02 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-methyl-5-nitrosobenzene
PubChem CID170751728
Molecular FormulaC7H5BrFNO
Molecular Weight218.02 g/mol
Exact Mass216.95
IUPAC Name1-bromo-3-fluoro-2-methyl-5-nitrosobenzene
SMILESCc1c(F)cc(N=O)cc1Br
InChIInChI=1S/C7H5BrFNO/c1-4-6(8)2-5(10-11)3-7(4)9/h2-3H,1H3
InChIKeyVJPHCLBBZUQVKJ-UHFFFAOYSA-N
XLogP3.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene?
The IUPAC name of 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene (CID 170751728) is 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene.
What is the SMILES notation for 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene?
The canonical SMILES for 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene is Cc1c(F)cc(N=O)cc1Br.
What is the InChIKey of 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene?
The InChIKey is VJPHCLBBZUQVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO/c1-4-6(8)2-5(10-11)3-7(4)9/h2-3H,1H3.
What are the key properties of 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene?
1-bromo-3-fluoro-2-methyl-5-nitrosobenzene has a molecular weight of 218.02 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2-methyl-5-nitrosobenzene is sourced from PubChem (CID 170751728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).