5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid

C10H7BrCl2O3 — CID 107729528

IUPAC5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OC/C(Cl)=C/Cl
InChIInChI=1S/C10H7BrCl2O3/c11-6-1-2-9(8(3-6)10(14)15)16-5-7(13)4-12/h1-4H,5H2,(H,14,15)/b7-4-
InChIKeyIXJXQPGMUKSORV-DAXSKMNVSA-N
MW325.97 g/mol
LogP3.85
Rot. Bonds4

About 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid

5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid (PubChem CID 107729528) has the molecular formula C10H7BrCl2O3 and a molecular weight of 325.97 g/mol. Its IUPAC name is 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid
PubChem CID107729528
Molecular FormulaC10H7BrCl2O3
Molecular Weight325.97 g/mol
Exact Mass323.90
IUPAC Name5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1OC/C(Cl)=C/Cl
InChIInChI=1S/C10H7BrCl2O3/c11-6-1-2-9(8(3-6)10(14)15)16-5-7(13)4-12/h1-4H,5H2,(H,14,15)/b7-4-
InChIKeyIXJXQPGMUKSORV-DAXSKMNVSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.97
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
CID 79167882
4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
CID 79167187
5-bromo-2-(2-methylprop-2-enoxy)benzoic acid
CID 103604045
5-bromo-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 103601812
2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-bromobenzoic acid
CID 103604048
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-bromobenzoic acid
CID 103601808
5-bromo-2-[2-(2,4-dibromophenoxy)acetyl]oxybenzoic acid
CID 54854409
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
5-bromo-2-(2,2-difluoroethoxy)benzoic acid
CID 60922935
5-bromo-2-nonoxybenzoic acid
CID 43129492
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid?
The IUPAC name of 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid (CID 107729528) is 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid?
The canonical SMILES for 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid is O=C(O)c1cc(Br)ccc1OC/C(Cl)=C/Cl.
What is the InChIKey of 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid?
The InChIKey is IXJXQPGMUKSORV-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H7BrCl2O3/c11-6-1-2-9(8(3-6)10(14)15)16-5-7(13)4-12/h1-4H,5H2,(H,14,15)/b7-4-.
What are the key properties of 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid?
5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid has a molecular weight of 325.97 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(Z)-2,3-dichloroprop-2-enoxy]benzoic acid is sourced from PubChem (CID 107729528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).