4-chloro-2-fluoro-6-methoxybenzoic acid

C8H6ClFO3 — CID 53399475

IUPAC4-chloro-2-fluoro-6-methoxybenzoic acid
SMILESCOc1cc(Cl)cc(F)c1C(=O)O
InChIInChI=1S/C8H6ClFO3/c1-13-6-3-4(9)2-5(10)7(6)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyJLZRFRKBYNNGKJ-UHFFFAOYSA-N
MW204.58 g/mol
LogP2.19
Rot. Bonds2

About 4-chloro-2-fluoro-6-methoxybenzoic acid

4-chloro-2-fluoro-6-methoxybenzoic acid (PubChem CID 53399475) has the molecular formula C8H6ClFO3 and a molecular weight of 204.58 g/mol. Its IUPAC name is 4-chloro-2-fluoro-6-methoxybenzoic acid.

Molecular Properties

Compound Name4-chloro-2-fluoro-6-methoxybenzoic acid
PubChem CID53399475
Molecular FormulaC8H6ClFO3
Molecular Weight204.58 g/mol
Exact Mass204.00
IUPAC Name4-chloro-2-fluoro-6-methoxybenzoic acid
SMILESCOc1cc(Cl)cc(F)c1C(=O)O
InChIInChI=1S/C8H6ClFO3/c1-13-6-3-4(9)2-5(10)7(6)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyJLZRFRKBYNNGKJ-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid
CID 167723816
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
3-chloro-2-fluoro-5,6-dimethoxybenzoic acid
CID 117341260
5-chloro-1-fluoro-2-iodo-3-methoxybenzene
CID 170171606
2,4-dichloro-6-methoxybenzamide
CID 118588801
5-chloro-2-fluoro-3,6-dimethoxybenzoic acid
CID 84797146
2-acetyloxy-6-fluoro-4-methoxybenzoic acid
CID 18183431
2-fluoro-6-methoxy-4-methylbenzoyl chloride
CID 171014950
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone
CID 84671092
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-6-methoxybenzoic acid?
The IUPAC name of 4-chloro-2-fluoro-6-methoxybenzoic acid (CID 53399475) is 4-chloro-2-fluoro-6-methoxybenzoic acid.
What is the SMILES notation for 4-chloro-2-fluoro-6-methoxybenzoic acid?
The canonical SMILES for 4-chloro-2-fluoro-6-methoxybenzoic acid is COc1cc(Cl)cc(F)c1C(=O)O.
What is the InChIKey of 4-chloro-2-fluoro-6-methoxybenzoic acid?
The InChIKey is JLZRFRKBYNNGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3/c1-13-6-3-4(9)2-5(10)7(6)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 4-chloro-2-fluoro-6-methoxybenzoic acid?
4-chloro-2-fluoro-6-methoxybenzoic acid has a molecular weight of 204.58 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-6-methoxybenzoic acid is sourced from PubChem (CID 53399475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).