| CAS Number | 198205-81-1 |
| Catalog Number | AG01B90R(AGN-PC-0K4N2Z) |
| Chemical Name | 4-(2-bromophenyl)benzaldehyde |
| IUPAC Name | 4-(2-bromophenyl)benzaldehyde |
| InChI | InChI=1S/C13H9BrO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H |
| InChI Key | ZJESBIYQYKDPMD-UHFFFAOYSA-N |
| MDL Number | MFCD05980885 |
| Molecular Formula | C13H9BrO |
| Molecular Weight | 261.1140 |
| SMILES | BrC1=C(C2=CC=C(C=O)C=C2)C=CC=C1 |
| Synonyms | 4-(2-bromophenyl)benzaldehyde,
198205-81-1,
AC1LRCJ7,
SCHEMBL8176332,
4-(2'-Bromophenyl)benzaldehyde,
ZJESBIYQYKDPMD-UHFFFAOYSA-N,
ZINC1257408,
MFCD05980885,
2'-Bromo-[1,1'-biphenyl]-4-carbaldehyde,
ZINC01257408,
CID1392761,
[1,1'-Biphenyl]-4-carboxaldehyde, 2'-bromo-,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.118g/mol |
| Monoisotopic Mass | 259.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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