Cas no 1179747-48-8 (2-chloro-5-(2,5-difluorophenyl)benzoic Acid)

2-Chloro-5-(2,5-difluorophenyl)benzoic acid is a fluorinated aromatic carboxylic acid derivative with a molecular formula of C??H?ClF?O?. This compound features a benzoic acid core substituted with a chloro group at the 2-position and a 2,5-difluorophenyl moiety at the 5-position, imparting unique electronic and steric properties. Its structural characteristics make it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing complex molecules requiring precise substitution patterns. The presence of fluorine atoms enhances metabolic stability and lipophilicity, while the carboxylic acid group allows for further functionalization. This compound is typically used in research settings for developing bioactive molecules or as a building block in medicinal chemistry.

2-chloro-5-(2,5-difluorophenyl)benzoic Acid structure

1179747-48-8 structure

Product Name:2-chloro-5-(2,5-difluorophenyl)benzoic Acid

CAS No:1179747-48-8

MF:C₁₃H₇ClF₂O₂

MW:268.643289804459

MDL:MFCD12859416

CID:1207243

PubChem ID:53211187

Update Time:2025-05-27

2-chloro-5-(2,5-difluorophenyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

- 2-chloro-5-(2,5-difluorophenyl)benzoic Acid
- 2-Chloro-5-(2,5-difluorophenyl)benzoic acid, 95%
- DTXSID60681218
- MFCD12859416
- 1179747-48-8
- 4-Chloro-2',5'-difluoro[1,1'-biphenyl]-3-carboxylic acid
- MDL： MFCD12859416
- Inchi： 1S/C13H7ClF2O2/c14-11-3-1-7(5-10(11)13(17)18)9-6-8(15)2-4-12(9)16/h1-6H,(H,17,18)
- InChI Key： WSRYOFUSBFAHLN-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1C(=O)O)C1C=C(C=CC=1F)F

Computed Properties

Exact Mass: 268.0102635g/mol
Monoisotopic Mass: 268.0102635g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 18
Rotatable Bond Count: 2
Complexity: 313
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4.9
Topological Polar Surface Area: 37.3?2

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Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time	Inquiry
abcr	AB327227-5 g	2-Chloro-5-(2,5-difluorophenyl)benzoic acid, 95%; .	1179747-48-8	95%	5g	€1159.00	2023-04-26
abcr	AB327227-5g	2-Chloro-5-(2,5-difluorophenyl)benzoic acid, 95%; .	1179747-48-8	95%	5g	€1159.00	2024-06-08