2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid

C14H8Cl2F2O4 — CID 159908135

IUPAC2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1Cl.O=C(O)c1ccc(F)cc1Cl
InChIInChI=1S/2C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11;8-6-3-4(9)1-2-5(6)7(10)11/h2*1-3H,(H,10,11)
InChIKeyNWVIGRITRBRTSU-UHFFFAOYSA-N
MW349.12 g/mol
LogP4.35
Rot. Bonds2

About 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid

2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid (PubChem CID 159908135) has the molecular formula C14H8Cl2F2O4 and a molecular weight of 349.12 g/mol. Its IUPAC name is 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
PubChem CID159908135
Molecular FormulaC14H8Cl2F2O4
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid
SMILESO=C(O)c1cc(F)ccc1Cl.O=C(O)c1ccc(F)cc1Cl
InChIInChI=1S/2C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11;8-6-3-4(9)1-2-5(6)7(10)11/h2*1-3H,(H,10,11)
InChIKeyNWVIGRITRBRTSU-UHFFFAOYSA-N
XLogP4.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-5-fluorobenzoic acid
CID 105395623
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225722
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
2,3-dichloro-5-fluorobenzoic acid
CID 19013031
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
2-acetyl-5-fluorobenzoic acid
CID 117279010
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid?
The IUPAC name of 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid (CID 159908135) is 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid.
What is the SMILES notation for 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid?
The canonical SMILES for 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid is O=C(O)c1cc(F)ccc1Cl.O=C(O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid?
The InChIKey is NWVIGRITRBRTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11;8-6-3-4(9)1-2-5(6)7(10)11/h2*1-3H,(H,10,11).
What are the key properties of 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid?
2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid has a molecular weight of 349.12 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluorobenzoic acid;2-chloro-5-fluorobenzoic acid is sourced from PubChem (CID 159908135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).