bromo 2-fluorobenzoate

C7H4BrFO2 — CID 68843510

IUPACbromo 2-fluorobenzoate
SMILESO=C(OBr)c1ccccc1F
InChIInChI=1S/C7H4BrFO2/c8-11-7(10)5-3-1-2-4-6(5)9/h1-4H
InChIKeyKRXZQYHIQCXRAE-UHFFFAOYSA-N
MW219.01 g/mol
LogP2.29
Rot. Bonds1

About bromo 2-fluorobenzoate

bromo 2-fluorobenzoate (PubChem CID 68843510) has the molecular formula C7H4BrFO2 and a molecular weight of 219.01 g/mol. Its IUPAC name is bromo 2-fluorobenzoate.

Molecular Properties

Compound Namebromo 2-fluorobenzoate
PubChem CID68843510
Molecular FormulaC7H4BrFO2
Molecular Weight219.01 g/mol
Exact Mass217.94
IUPAC Namebromo 2-fluorobenzoate
SMILESO=C(OBr)c1ccccc1F
InChIInChI=1S/C7H4BrFO2/c8-11-7(10)5-3-1-2-4-6(5)9/h1-4H
InChIKeyKRXZQYHIQCXRAE-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
2,2,2-tribromoethyl 2-fluorobenzoate
CID 134101352
bromo 2-methylbenzoate
CID 67185739
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(triphenyl-λ4-sulfanyl) 2-fluorobenzoate
CID 12993895
bromo naphthalene-1-carboxylate
CID 68796403
(4-bromophenyl)methyl 2-fluorobenzoate
CID 2347288
2-fluorobenzoyl chloride
CID 9808
[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
CID 45155689
(2,4-dibromophenyl) 2-fluorobenzoate
CID 23011822
1-(dimethylamino)ethyl 2-fluorobenzoate
CID 175337343
4-(2-fluorobenzoyl)oxybenzoic acid
CID 54854449

Frequently Asked Questions

What is the IUPAC name of bromo 2-fluorobenzoate?
The IUPAC name of bromo 2-fluorobenzoate (CID 68843510) is bromo 2-fluorobenzoate.
What is the SMILES notation for bromo 2-fluorobenzoate?
The canonical SMILES for bromo 2-fluorobenzoate is O=C(OBr)c1ccccc1F.
What is the InChIKey of bromo 2-fluorobenzoate?
The InChIKey is KRXZQYHIQCXRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO2/c8-11-7(10)5-3-1-2-4-6(5)9/h1-4H.
What are the key properties of bromo 2-fluorobenzoate?
bromo 2-fluorobenzoate has a molecular weight of 219.01 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 2-fluorobenzoate is sourced from PubChem (CID 68843510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).