4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid

C14H7BrClNO3 — CID 63082119

IUPAC4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid
SMILESN#Cc1ccc(Cl)cc1Oc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C14H7BrClNO3/c15-9-2-4-11(14(18)19)13(5-9)20-12-6-10(16)3-1-8(12)7-17/h1-6H,(H,18,19)
InChIKeyOLHFJPUYUYEDLV-UHFFFAOYSA-N
MW352.57 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid

4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid (PubChem CID 63082119) has the molecular formula C14H7BrClNO3 and a molecular weight of 352.57 g/mol. Its IUPAC name is 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid.

Molecular Properties

Compound Name4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid
PubChem CID63082119
Molecular FormulaC14H7BrClNO3
Molecular Weight352.57 g/mol
Exact Mass350.93
IUPAC Name4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid
SMILESN#Cc1ccc(Cl)cc1Oc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C14H7BrClNO3/c15-9-2-4-11(14(18)19)13(5-9)20-12-6-10(16)3-1-8(12)7-17/h1-6H,(H,18,19)
InChIKeyOLHFJPUYUYEDLV-UHFFFAOYSA-N
XLogP4.46
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(5-bromo-2-cyanophenoxy)benzoic acid
CID 114907004
4-bromo-2-(4-bromo-2-cyanophenoxy)benzoic acid
CID 114895237
4-bromo-2-(2-cyano-5-methylphenoxy)benzoic acid
CID 62308543
4-(5-bromo-2-cyanophenoxy)-2-fluorobenzoic acid
CID 107677496
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863
2-(4-bromophenoxy)-4-chlorobenzoic acid
CID 55225362
4-bromo-2-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 62683663
2-(4-bromo-2-cyanophenoxy)-5-iodobenzoic acid
CID 107732348
5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
2-(4-bromo-2-cyanoanilino)-5-chlorobenzoic acid
CID 82704123
1-[4-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971454

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid?
The IUPAC name of 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid (CID 63082119) is 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid.
What is the SMILES notation for 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid?
The canonical SMILES for 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid is N#Cc1ccc(Cl)cc1Oc1cc(Br)ccc1C(=O)O.
What is the InChIKey of 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid?
The InChIKey is OLHFJPUYUYEDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO3/c15-9-2-4-11(14(18)19)13(5-9)20-12-6-10(16)3-1-8(12)7-17/h1-6H,(H,18,19).
What are the key properties of 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid?
4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid has a molecular weight of 352.57 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid is sourced from PubChem (CID 63082119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).