(6-bromo-2-fluoro-3-methylphenyl) acetate

C9H8BrFO2 — CID 130643220

IUPAC(6-bromo-2-fluoro-3-methylphenyl) acetate
SMILESCC(=O)Oc1c(Br)ccc(C)c1F
InChIInChI=1S/C9H8BrFO2/c1-5-3-4-7(10)9(8(5)11)13-6(2)12/h3-4H,1-2H3
InChIKeyMAZGFMOPWWBFFF-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.82
Rot. Bonds1

About (6-bromo-2-fluoro-3-methylphenyl) acetate

(6-bromo-2-fluoro-3-methylphenyl) acetate (PubChem CID 130643220) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is (6-bromo-2-fluoro-3-methylphenyl) acetate.

Molecular Properties

Compound Name(6-bromo-2-fluoro-3-methylphenyl) acetate
PubChem CID130643220
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name(6-bromo-2-fluoro-3-methylphenyl) acetate
SMILESCC(=O)Oc1c(Br)ccc(C)c1F
InChIInChI=1S/C9H8BrFO2/c1-5-3-4-7(10)9(8(5)11)13-6(2)12/h3-4H,1-2H3
InChIKeyMAZGFMOPWWBFFF-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2,6-dimethylphenyl) acetate
CID 154301591
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
(2,3,6-trifluorophenyl) acetate
CID 23297688
1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
CID 130714606
(2,3-difluoro-5,6-dimethylphenyl) acetate
CID 174355739
ethane;methyl 3-bromo-2-fluoro-6-methylbenzoate
CID 145446517
(2,6-dibromo-4-hydroxyphenyl) acetate
CID 70199950
(2,3-dichloro-6-methylphenyl) acetate
CID 59058146
[3-[2-(3-acetamido-2-methoxy-4-pyridinyl)ethyl]-6-bromo-2-fluorophenyl] acetate
CID 163714330
potassium;(2-bromo-6-cyanophenyl) acetate;3-bromo-2-fluorobenzonitrile;3-bromo-2-hydroxybenzonitrile;methane;acetate
CID 158387024
(3-chloro-2,6-difluorophenyl) acetate
CID 134561952
(7-bromo-5-fluoro-1H-indol-4-yl) acetate
CID 170790781

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-fluoro-3-methylphenyl) acetate?
The IUPAC name of (6-bromo-2-fluoro-3-methylphenyl) acetate (CID 130643220) is (6-bromo-2-fluoro-3-methylphenyl) acetate.
What is the SMILES notation for (6-bromo-2-fluoro-3-methylphenyl) acetate?
The canonical SMILES for (6-bromo-2-fluoro-3-methylphenyl) acetate is CC(=O)Oc1c(Br)ccc(C)c1F.
What is the InChIKey of (6-bromo-2-fluoro-3-methylphenyl) acetate?
The InChIKey is MAZGFMOPWWBFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-5-3-4-7(10)9(8(5)11)13-6(2)12/h3-4H,1-2H3.
What are the key properties of (6-bromo-2-fluoro-3-methylphenyl) acetate?
(6-bromo-2-fluoro-3-methylphenyl) acetate has a molecular weight of 247.06 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-fluoro-3-methylphenyl) acetate is sourced from PubChem (CID 130643220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).