3-(4-Bromophenyl)-2-propenoyl chloride - CAS 27465-66-3
Catalog: |
BB061879 |
Product Name: |
3-(4-Bromophenyl)-2-propenoyl chloride |
CAS: |
27465-66-3 |
Synonyms: |
3-(4-Bromophenyl)prop-2-enoyl chloride; 4-bromocinnamoyl chloride; p-bromocinnamoyl chloride; 2-Propenoyl chloride, 3-(4-bromophenyl)-; 3-(4-Bromophenyl)-2-propenoyl chloride |
IUPAC Name: | 3-(4-bromophenyl)prop-2-enoyl chloride |
Molecular Weight: | 245.5 |
Molecular Formula: | C9H6BrClO |
Canonical SMILES: | C1=CC(=CC=C1C=CC(=O)Cl)Br |
InChI: | InChI=1S/C9H6BrClO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H |
InChI Key: | YLABICHHIYWLQM-UHFFFAOYSA-N |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.92906 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.92906 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 3.5 |
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