(2-bromo-6-chloro-4-fluorophenyl)carbamic acid

C7H4BrClFNO2 — CID 138685611

IUPAC(2-bromo-6-chloro-4-fluorophenyl)carbamic acid
SMILESO=C(O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C7H4BrClFNO2/c8-4-1-3(10)2-5(9)6(4)11-7(12)13/h1-2,11H,(H,12,13)
InChIKeyLXJGZDMYGGQKAW-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.33
Rot. Bonds1

About (2-bromo-6-chloro-4-fluorophenyl)carbamic acid

(2-bromo-6-chloro-4-fluorophenyl)carbamic acid (PubChem CID 138685611) has the molecular formula C7H4BrClFNO2 and a molecular weight of 268.47 g/mol. Its IUPAC name is (2-bromo-6-chloro-4-fluorophenyl)carbamic acid.

Molecular Properties

Compound Name(2-bromo-6-chloro-4-fluorophenyl)carbamic acid
PubChem CID138685611
Molecular FormulaC7H4BrClFNO2
Molecular Weight268.47 g/mol
Exact Mass266.91
IUPAC Name(2-bromo-6-chloro-4-fluorophenyl)carbamic acid
SMILESO=C(O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C7H4BrClFNO2/c8-4-1-3(10)2-5(9)6(4)11-7(12)13/h1-2,11H,(H,12,13)
InChIKeyLXJGZDMYGGQKAW-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-chloro-4-fluorophenyl)carbamic acid?
The IUPAC name of (2-bromo-6-chloro-4-fluorophenyl)carbamic acid (CID 138685611) is (2-bromo-6-chloro-4-fluorophenyl)carbamic acid.
What is the SMILES notation for (2-bromo-6-chloro-4-fluorophenyl)carbamic acid?
The canonical SMILES for (2-bromo-6-chloro-4-fluorophenyl)carbamic acid is O=C(O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of (2-bromo-6-chloro-4-fluorophenyl)carbamic acid?
The InChIKey is LXJGZDMYGGQKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFNO2/c8-4-1-3(10)2-5(9)6(4)11-7(12)13/h1-2,11H,(H,12,13).
What are the key properties of (2-bromo-6-chloro-4-fluorophenyl)carbamic acid?
(2-bromo-6-chloro-4-fluorophenyl)carbamic acid has a molecular weight of 268.47 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-chloro-4-fluorophenyl)carbamic acid is sourced from PubChem (CID 138685611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).