2-(2-bromo-6-chlorophenyl)acetic acid

C8H6BrClO2 — CID 53446365

IUPAC2-(2-bromo-6-chlorophenyl)acetic acid
SMILESO=C(O)Cc1c(Cl)cccc1Br
InChIInChI=1S/C8H6BrClO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyKTPDPINDCZGYEC-UHFFFAOYSA-N
MW249.49 g/mol
LogP2.73
Rot. Bonds2

About 2-(2-bromo-6-chlorophenyl)acetic acid

2-(2-bromo-6-chlorophenyl)acetic acid (PubChem CID 53446365) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 2-(2-bromo-6-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6-chlorophenyl)acetic acid
PubChem CID53446365
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name2-(2-bromo-6-chlorophenyl)acetic acid
SMILESO=C(O)Cc1c(Cl)cccc1Br
InChIInChI=1S/C8H6BrClO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyKTPDPINDCZGYEC-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
2-(3,6-dibromo-2-chlorophenyl)acetic acid
CID 171009622
1-(3-bromo-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 106644761
2-[2-chloro-6-(2,4,6-trichlorophenyl)phenyl]acetic acid
CID 134622761
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
2-(2-bromo-6-chloro-4-fluorophenyl)acetic acid
CID 131624257
2-(3-amino-6-bromo-2-chlorophenyl)acetic acid
CID 131299170
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
CID 83903987
2-(3-bromo-2-sulfanylphenyl)acetic acid
CID 91874099
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260
1-(2-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)propan-2-one
CID 66143656

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chlorophenyl)acetic acid?
The IUPAC name of 2-(2-bromo-6-chlorophenyl)acetic acid (CID 53446365) is 2-(2-bromo-6-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6-chlorophenyl)acetic acid?
The canonical SMILES for 2-(2-bromo-6-chlorophenyl)acetic acid is O=C(O)Cc1c(Cl)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-chlorophenyl)acetic acid?
The InChIKey is KTPDPINDCZGYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12).
What are the key properties of 2-(2-bromo-6-chlorophenyl)acetic acid?
2-(2-bromo-6-chlorophenyl)acetic acid has a molecular weight of 249.49 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chlorophenyl)acetic acid is sourced from PubChem (CID 53446365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).