| CAS Number | 1147531-61-0 |
| Catalog Number | AG01BI1M |
| Chemical Name | 1-(4-Bromophenyl)Cyclopropane-1-Carbaldehyde |
| IUPAC Name | 1-(4-bromophenyl)cyclopropane-1-carbaldehyde |
| InChI | InChI=1S/C10H9BrO/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4,7H,5-6H2 |
| InChI Key | WNPUSMVNRHDNHG-UHFFFAOYSA-N |
| MDL Number | MFCD18907440 |
| Molecular Formula | C10H9BrO |
| Molecular Weight | 225.0819 |
| SMILES | BrC1=CC=C(C=C1)C1(CC1)C=O |
| Synonyms | SCHEMBL4046273,
WNPUSMVNRHDNHG-UHFFFAOYSA-N,
ZINC57516871,
1147531-61-0,
1-(4-bromophenyl)cyclopropane carbaldehyde,
1-(4-bromophenyl)cyclopropane-1-carbaldehyde,
1-(4-bromo-phenyl)-cyclopropanecarbaldehyde,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.085g/mol |
| Monoisotopic Mass | 223.984g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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