| CAS Number | 1261352-83-3 |
| Catalog Number | AG00IPJL(AGN-PC-0WAT14) |
| Chemical Name | 4-[3-(4-bromophenyl)-3-oxo-1-propenyl]benzenecarbaldehyde |
| IUPAC Name | 4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]benzaldehyde |
| InChI | InChI=1S/C16H11BrO2/c17-15-8-6-14(7-9-15)16(19)10-5-12-1-3-13(11-18)4-2-12/h1-11H |
| InChI Key | CXWUVXDIHQERNK-UHFFFAOYSA-N |
| MDL Number | MFCD01315419 |
| Molecular Formula | C16H11BrO2 |
| Molecular Weight | 315.1613 |
| SMILES | [Br]C2(=CC=C(C(=O)C=CC1(=CC=C(C=O)C=C1))C=C2) |
| Synonyms | 1261352-83-3,
4-[3-(4-bromophenyl)-3-oxo-1-propenyl]benzenecarbaldehyde,
AC1MSJ6V,
4-[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]benzaldehyde,
KS-00001VMV,
AKOS030244777,
MCULE-9114325103,
4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]benzaldehyde,
CID3560122,
4-[3-(4-bromophenyl)-3-oxo-prop-1-enyl]benzaldehyde,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.166g/mol |
| Monoisotopic Mass | 313.994g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number