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

C7H4BrClFNO2 — CID 18451550

IUPAC(3-bromo-6-chloro-2-fluorophenyl)carbamic acid
SMILESO=C(O)Nc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C7H4BrClFNO2/c8-3-1-2-4(9)6(5(3)10)11-7(12)13/h1-2,11H,(H,12,13)
InChIKeyWQMKPCRLDNUMHW-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.33
Rot. Bonds1

About (3-bromo-6-chloro-2-fluorophenyl)carbamic acid

(3-bromo-6-chloro-2-fluorophenyl)carbamic acid (PubChem CID 18451550) has the molecular formula C7H4BrClFNO2 and a molecular weight of 268.47 g/mol. Its IUPAC name is (3-bromo-6-chloro-2-fluorophenyl)carbamic acid.

Molecular Properties

Compound Name(3-bromo-6-chloro-2-fluorophenyl)carbamic acid
PubChem CID18451550
Molecular FormulaC7H4BrClFNO2
Molecular Weight268.47 g/mol
Exact Mass266.91
IUPAC Name(3-bromo-6-chloro-2-fluorophenyl)carbamic acid
SMILESO=C(O)Nc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C7H4BrClFNO2/c8-3-1-2-4(9)6(5(3)10)11-7(12)13/h1-2,11H,(H,12,13)
InChIKeyWQMKPCRLDNUMHW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-chloro-2-fluorophenyl)carbamic acid?
The IUPAC name of (3-bromo-6-chloro-2-fluorophenyl)carbamic acid (CID 18451550) is (3-bromo-6-chloro-2-fluorophenyl)carbamic acid.
What is the SMILES notation for (3-bromo-6-chloro-2-fluorophenyl)carbamic acid?
The canonical SMILES for (3-bromo-6-chloro-2-fluorophenyl)carbamic acid is O=C(O)Nc1c(Cl)ccc(Br)c1F.
What is the InChIKey of (3-bromo-6-chloro-2-fluorophenyl)carbamic acid?
The InChIKey is WQMKPCRLDNUMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFNO2/c8-3-1-2-4(9)6(5(3)10)11-7(12)13/h1-2,11H,(H,12,13).
What are the key properties of (3-bromo-6-chloro-2-fluorophenyl)carbamic acid?
(3-bromo-6-chloro-2-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 (3-bromo-6-chloro-2-fluorophenyl)carbamic acid is sourced from PubChem (CID 18451550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).