2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid

C10H6BrCl3O2 — CID 122618346

IUPAC2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Br
InChIInChI=1S/C10H6BrCl3O2/c11-10(14)7(8(10)9(15)16)4-1-5(12)3-6(13)2-4/h1-3,7-8H,(H,15,16)
InChIKeyPTWHSJLBOIMLFN-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.12
Rot. Bonds2

About 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid

2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 122618346) has the molecular formula C10H6BrCl3O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID122618346
Molecular FormulaC10H6BrCl3O2
Molecular Weight344.42 g/mol
Exact Mass341.86
IUPAC Name2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Br
InChIInChI=1S/C10H6BrCl3O2/c11-10(14)7(8(10)9(15)16)4-1-5(12)3-6(13)2-4/h1-3,7-8H,(H,15,16)
InChIKeyPTWHSJLBOIMLFN-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,3S)-2,2-dichloro-3-(3,5-dibromophenyl)cyclopropane-1-carboxylic acid
CID 122615585
2-bromo-1-[3-(3,5-dichlorophenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 20778880
2-chloro-3-(3,5-dichloro-4-methylphenyl)-2-methylcyclopropane-1-carboxylic acid
CID 138653395
2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carbaldehyde
CID 122615598
5-[[(1S,2S)-2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-chloro-N-(2,6-difluorophenyl)benzamide
CID 122619382
1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone
CID 138652527
trans-(1R,3R)-3-(3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 11481517
3-(3-bromo-5-fluorophenyl)-2,2-dichlorocyclopropane-1-carboxylic acid
CID 122618128
2,2-dibromo-N-(4-chloro-3-methylphenyl)-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 138653070
cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 129322641
3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 121209337
trans-(1R,3R)-2,2-dichloro-3-(3,4-dibromophenyl)cyclopropane-1-carboxylic acid
CID 122617361

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid (CID 122618346) is 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Br.
What is the InChIKey of 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is PTWHSJLBOIMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl3O2/c11-10(14)7(8(10)9(15)16)4-1-5(12)3-6(13)2-4/h1-3,7-8H,(H,15,16).
What are the key properties of 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid?
2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122618346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).