| CAS Number | 718628-28-5 |
| Catalog Number | AG005FCK(AGN-PC-03NHDC) |
| Chemical Name | [1,1'-Biphenyl]-4-carboxaldehyde,3'-chloro-4'-fluoro- |
| IUPAC Name | 4-(3-chloro-4-fluorophenyl)benzaldehyde |
| InChI | InChI=1S/C13H8ClFO/c14-12-7-11(5-6-13(12)15)10-3-1-9(8-16)2-4-10/h1-8H |
| InChI Key | UANLRBFSWUEGFR-UHFFFAOYSA-N |
| MDL Number | MFCD11931986 |
| Molecular Formula | C13H8ClFO |
| Molecular Weight | 234.6534 |
| SMILES | c1(c(ccc(c1)c1ccc(cc1)C=O)F)Cl |
| Synonyms | 4-(3-Chloro-4-fluorophenyl)benzaldehyde,
718628-28-5,
ACMC-209oke,
SCHEMBL2009103,
ANW-36108,
ZINC33427805,
AKOS017565639,
CJ-18057,
TC-124853,
3'-Chloro-4'-fluorobiphenyl-4-carbaldehyde,
V7470,
[1,1'-Biphenyl]-4-carboxaldehyde, 3'-chloro-4'-fluoro-,
C13H8ClFO,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.654g/mol |
| Monoisotopic Mass | 234.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number