(4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid

C8H7BrFNO3 — CID 146176434

IUPAC(4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid
SMILESCOc1c(NC(=O)O)ccc(Br)c1F
InChIInChI=1S/C8H7BrFNO3/c1-14-7-5(11-8(12)13)3-2-4(9)6(7)10/h2-3,11H,1H3,(H,12,13)
InChIKeyKRCQEPKOOSMSNQ-UHFFFAOYSA-N
MW264.05 g/mol
LogP2.69
Rot. Bonds2

About (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid

(4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid (PubChem CID 146176434) has the molecular formula C8H7BrFNO3 and a molecular weight of 264.05 g/mol. Its IUPAC name is (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid.

Molecular Properties

Compound Name(4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid
PubChem CID146176434
Molecular FormulaC8H7BrFNO3
Molecular Weight264.05 g/mol
Exact Mass262.96
IUPAC Name(4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid
SMILESCOc1c(NC(=O)O)ccc(Br)c1F
InChIInChI=1S/C8H7BrFNO3/c1-14-7-5(11-8(12)13)3-2-4(9)6(7)10/h2-3,11H,1H3,(H,12,13)
InChIKeyKRCQEPKOOSMSNQ-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.05
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid?
The IUPAC name of (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid (CID 146176434) is (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid.
What is the SMILES notation for (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid?
The canonical SMILES for (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid is COc1c(NC(=O)O)ccc(Br)c1F.
What is the InChIKey of (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid?
The InChIKey is KRCQEPKOOSMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO3/c1-14-7-5(11-8(12)13)3-2-4(9)6(7)10/h2-3,11H,1H3,(H,12,13).
What are the key properties of (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid?
(4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid has a molecular weight of 264.05 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluoro-2-methoxyphenyl)carbamic acid is sourced from PubChem (CID 146176434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).