| CAS Number | 537713-37-4 |
| Catalog Number | AG00E85Z(AGN-PC-0NT135) |
| Chemical Name | 2-(4-Chlorophenyl)-5-fluorobenzoic acid |
| IUPAC Name | 2-(4-chlorophenyl)-5-fluorobenzoic acid |
| InChI | InChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7H,(H,16,17) |
| InChI Key | MSYSJYOGWZZOTO-UHFFFAOYSA-N |
| MDL Number | MFCD11933568 |
| Molecular Formula | C13H8ClFO2 |
| Molecular Weight | 250.6528 |
| SMILES | Clc1ccc(cc1)c1ccc(cc1C(=O)O)F |
| Synonyms | 537713-37-4,
4'-Chloro-4-fluoro-[1,1'-biphenyl]-2-carboxylic acid,
2-(4-CHLOROPHENYL)-5-FLUOROBENZOIC ACID,
SCHEMBL6488777,
DTXSID00653530,
MFCD11933568,
ZINC32003346,
AKOS005816359,
AJ-84504,
AX8282463,
BC4251860,
K-9722,
4'-Chloro-4-fluoro[1,1'-biphenyl]-2-carboxylic acid,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.653g/mol |
| Monoisotopic Mass | 250.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number