| CAS Number | 1381944-68-8 |
| Catalog Number | AG00187R(AGN-PC-0J2CCO) |
| Chemical Name | 3'-Chloro-5'-fluoro-[1,1'-biphenyl]-4-carbaldehyde |
| IUPAC Name | 4-(3-chloro-5-fluorophenyl)benzaldehyde |
| InChI | InChI=1S/C13H8ClFO/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H |
| InChI Key | MCIXTJPGYAARQI-UHFFFAOYSA-N |
| MDL Number | MFCD22375084 |
| Molecular Formula | C13H8ClFO |
| Molecular Weight | 234.6534 |
| SMILES | O=Cc1ccc(cc1)c1cc(F)cc(c1)Cl |
| Synonyms | 4-(3-Chloro-5-fluorophenyl)benzaldehyde,
1381944-68-8,
ACMC-209cgm,
SCHEMBL17508116,
CTK8B0736,
DTXSID70743058,
ANW-20420,
MFCD22375084,
ZINC85477318,
AKOS020279517,
CJ-22469,
TC-109165,
V2841,
K-4472,
3'-Chloro-5'-fluoro[1,1'-biphenyl]-4-carbaldehyde,
[1,1'-Biphenyl]-4-carboxaldehyde, 3'-chloro-5'-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