| CAS Number | 22731-70-0 |
| Catalog Number | AG00I4H3(AGN-PC-006ZN1) |
| Chemical Name | 1-(4-Bromophenyl)prop-2-en-1-one |
| IUPAC Name | 1-(4-bromophenyl)prop-2-en-1-one |
| InChI | InChI=1S/C9H7BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,1H2 |
| InChI Key | NALJNNVTRUWQKR-UHFFFAOYSA-N |
| MDL Number | MFCD02259860 |
| Molecular Formula | C9H7BrO |
| Molecular Weight | 211.0553 |
| SMILES | BrC1=CC=C(C=C1)C(C=C)=O |
| Synonyms | 1-(4-bromophenyl)prop-2-en-1-one,
22731-70-0,
1-(4-bromophenyl)-prop-2-en-1-one,
4'-Bromoacrylophenone,
1-acryloyl-4-bromobenzene,
SCHEMBL8864790,
NALJNNVTRUWQKR-UHFFFAOYSA-N,
ZINC2579501,
1-(4-bromophenyl)prop-2-ene-1-one,
AKOS014915442,
2-Propen-1-one, 1-(4-bromophenyl)-,
42071-66-9,
CID11333310,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.058g/mol |
| Monoisotopic Mass | 209.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number