Phenacyl bromide
PubChem CID: 6259
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| Compound Synonyms | 2-Bromoacetophenone, 70-11-1, Phenacyl bromide, 2-Bromo-1-phenylethanone, Bromoacetophenone, Bromomethyl phenyl ketone, Ethanone, 2-bromo-1-phenyl-, 2-Bromo-1-Phenylethan-1-One, ALPHA-BROMOACETOPHENONE, omega-Bromoacetophenone, Acetophenone, 2-bromo-, Stauffer 4644, phenacylbromide, a-bromoacetophenone, Benzoylmethyl bromide, omega-Bromacetophenone, alpha-bromo-acetophenone, .alpha.-Bromoacetophenone, .omega.-Bromoacetophenone, 2-bromo-1-phenyl-ethanone, NSC 9807, UN2645, CCRIS 6892, .omega.-Bromacetophenone, EINECS 200-724-9, MFCD00000195, DTXSID2049426, CHEBI:51846, phenyl bromomethyl ketone, NSC-9807, 1-phenyl-2-bromoethanone, 2-BROMACETOPHENONE, 754Y0U325I, STAUFFER-4644, CHEMBL102953, DTXCID1029386, Halomethyl Phenyl Ketone deriv. 23, 1-BROMO-2-PHENYLETHAN-2-ONE, .OMEGA.-BROMOACETOPHENONE [MI], UN-2645, phenacylbromid, UNII-754Y0U325I, 2bromoacetophenone, bromo-acetophenone, w-bromoacetophenone, omegaBromacetophenone, 2-bromo acetophenone, 2-bromo-acetophenone, 2-bromoaceto-phenone, alpha-bromacetophenone, beta-bromoacetophenone, 2Bromo1phenylethanone, Acetophenone, 2bromo, alphabromo-acetophenone, omega-bromo-acetophenone, Ethanone, 2bromo1phenyl, 2-bromo-1 -phenylethanone, 2-Bromoacetophenone, 98%, SCHEMBL7621, Acetophenone, 2bromo (8CI), 2-bromo-1-phenyl-1-ethanone, Acetophenone, 2-bromo-(8CI), BDBM7875, NSC9807, CS-D1425, STR01109, Tox21_202941, STK397322, AKOS000210403, UN 2645, 2-Bromoacetophenone, analytical standard, CAS-70-11-1, NCGC00260487-01, Phenacyl bromide [UN2645] [Poison], AC-22360, PD136239, 2-Bromo-1-phenylethanone, Phenacyl bromide, DB-001220, A5508, B0535, NS00037007, P1782, A23180, AC-907/25014200, Q310709, doi:10.14272/LIGACIXOYTUXAW-UHFFFAOYSA-N.1, 2-Bromoacetophenone, for GC derivatization, >=99.0%, 200-724-9 |
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| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031, P49841, P22612, P07858, P04792, P05412 |
| Iupac Name | 2-bromo-1-phenylethanone |
| Prediction Hob | 1.0 |
| Target Id | NPT178, NPT591 |
| Xlogp | 2.5 |
| Molecular Formula | C8H7BrO |
| Prediction Swissadme | 0.0 |
| Inchi Key | LIGACIXOYTUXAW-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.839 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.243 |
| Compound Name | Phenacyl bromide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 197.968 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 197.968 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 199.04 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7657914 |
| Inchi | InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2 |
| Smiles | C1=CC=C(C=C1)C(=O)CBr |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all