| CAS Number | 1321539-25-6 |
| Catalog Number | AG01DV98 |
| Chemical Name | 2-[(4-chlorophenyl)methyl]benzaldehyde |
| IUPAC Name | 2-[(4-chlorophenyl)methyl]benzaldehyde |
| InChI | InChI=1S/C14H11ClO/c15-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-16/h1-8,10H,9H2 |
| InChI Key | ZVVBWUHNZYTNBH-UHFFFAOYSA-N |
| MDL Number | MFCD31666111 |
| Molecular Formula | C14H11ClO |
| Molecular Weight | 230.6895 |
| SMILES | ClC1=CC=C(CC2=C(C=O)C=CC=C2)C=C1 |
| Synonyms | 2-[(4-chlorophenyl)methyl]benzaldehyde,
1321539-25-6,
SCHEMBL11464004,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.691g/mol |
| Monoisotopic Mass | 230.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number