2-(2-bromo-3,4-dichlorophenyl)acetic acid

C8H5BrCl2O2 — CID 54442363

IUPAC2-(2-bromo-3,4-dichlorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)c(Cl)c1Br
InChIInChI=1S/C8H5BrCl2O2/c9-7-4(3-6(12)13)1-2-5(10)8(7)11/h1-2H,3H2,(H,12,13)
InChIKeyWPALZHJIUVHHDV-UHFFFAOYSA-N
MW283.94 g/mol
LogP3.38
Rot. Bonds2

About 2-(2-bromo-3,4-dichlorophenyl)acetic acid

2-(2-bromo-3,4-dichlorophenyl)acetic acid (PubChem CID 54442363) has the molecular formula C8H5BrCl2O2 and a molecular weight of 283.94 g/mol. Its IUPAC name is 2-(2-bromo-3,4-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-3,4-dichlorophenyl)acetic acid
PubChem CID54442363
Molecular FormulaC8H5BrCl2O2
Molecular Weight283.94 g/mol
Exact Mass281.88
IUPAC Name2-(2-bromo-3,4-dichlorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)c(Cl)c1Br
InChIInChI=1S/C8H5BrCl2O2/c9-7-4(3-6(12)13)1-2-5(10)8(7)11/h1-2H,3H2,(H,12,13)
InChIKeyWPALZHJIUVHHDV-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.94
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoroacetic acid;1,2,3,4-tetrachlorobenzene
CID 174356728
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
2-(2-bromo-3,4-dihydroxyphenyl)acetic acid
CID 54776284
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
CID 171004805
4-(2-bromo-4-chloro-3-fluorophenyl)butanoic acid
CID 117476279
2-[2,4-dichloro-3-(difluoromethoxy)phenyl]acetic acid
CID 119020580
2-(3,4-diamino-2-chlorophenyl)acetic acid
CID 171016624
2-(3,6-dibromo-2-chlorophenyl)acetic acid
CID 171009622
2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid
CID 119021333
2-[6-chloro-2-(2,3,4-trichlorophenyl)-3-pyridinyl]acetic acid
CID 134635967
2-[2-chloro-5-(2,3,4-trichlorophenyl)phenyl]acetic acid
CID 118829634

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-dichlorophenyl)acetic acid?
The IUPAC name of 2-(2-bromo-3,4-dichlorophenyl)acetic acid (CID 54442363) is 2-(2-bromo-3,4-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-3,4-dichlorophenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-3,4-dichlorophenyl)acetic acid is O=C(O)Cc1ccc(Cl)c(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3,4-dichlorophenyl)acetic acid?
The InChIKey is WPALZHJIUVHHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2O2/c9-7-4(3-6(12)13)1-2-5(10)8(7)11/h1-2H,3H2,(H,12,13).
What are the key properties of 2-(2-bromo-3,4-dichlorophenyl)acetic acid?
2-(2-bromo-3,4-dichlorophenyl)acetic acid has a molecular weight of 283.94 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-dichlorophenyl)acetic acid is sourced from PubChem (CID 54442363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).