Propanoic acid, 2-bromo-2-methyl-, ethyl ester
PubChem CID: 11745
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ethyl 2-bromoisobutyrate, 600-00-0, Ethyl 2-bromo-2-methylpropanoate, Ethyl 2-bromo-2-methylpropionate, ethyl-2-bromoisobutyrate, 6-Hydroxydopamine bromide, ETHYL ALPHA-BROMOISOBUTYRATE, NSC 9465, 2-Bromo-2-methylpropanoic acid, ethyl ester, NSC 402034, alpha-Bromoisobutyric acid, ethyl ester, Ethyl .alpha.-bromoisobutyrate, Propanoic acid, 2-bromo-2-methyl-, ethyl ester, CCRIS 6546, EINECS 209-980-6, ethyl-2-bromo-isobutyrate, Propionic acid, 2-bromo-2-methyl-, ethyl ester, Ethyl alpha-bromo-alpha-methylpropionate, 2-bromo-2-methylpropanoic acid ethyl ester, DTXSID4060523, EC 209-980-6, 2-Bromoisobutyric Acid Ethyl Ester, MFCD00000123, .alpha.-Bromoisobutyric acid, ethyl ester, Ethyl .alpha.-bromo-.alpha.-methylpropionate, Propanoic acid, bromo-2-methyl-, ethyl ester, Ethyl, A-bromoisobutyrate, ethyl 2-bromo-2-methyl-propanoate, ethyl bromoisobutyrate, ethyl bromo-isobutyrate, Ethyl A-bromoisobutyrate, ethyl bromodimethylacetate, ethyl dimethylbromoacetate, ethyl 2-bromo-isobutyrate, ethylalpha-bromoisobutyrate, Ethyl alphabromoisobutyrate, ethyl-alpha-bromoisobutyrate, SCHEMBL36821, Ethyl 2bromo2methylpropanoate, Ethyl 2bromo2methylpropionate, Ethyl alpha -bromoisobutyrate, 2-bromoisobutyrate ethyl ester, DTXCID6042739, ethyl 2-bromo-2-methylpropanate, ethyl-2-bromo-2-methylpropanate, IOLQWGVDEFWYNP-UHFFFAOYSA-, 2-Bromoisobutyricacid ethyl ester, 2Bromoisobutyric acid ethyl ester, ethyl 2-bromo-2methyl-propionate, ethyl-2-bromo-2-methylpropanoate, ethyl-2-bromo-2-methylpropionate, NSC9465, ethyl 2-bromo-2-methylproprionate, ethyl 2-bromo-2-methyl-propionate, ethyl 2-bromo-2,2-dimethylacetate, Ethyl alpha-bromoisobutyrate, 98%, BCP24420, Ethyl alphabromoalphamethylpropionate, NSC-9465, NSC402034, alphaBromoisobutyric acid, ethyl ester, ethyl 2-bromanyl-2-methyl-propanoate, AKOS009157529, alpha-bromo-isobutyric acid ethyl ester, NSC-402034, 2Bromo2methylpropanoic acid, ethyl ester, 2-bromo-2-methylpropanoic acid ethylester, BS-22382, 2-bromo-2-methyl-propanoic acid ethylester, 2-bromo-2-methylpropionic acid ethyl ester, DB-053510, Propanoic acid, 2bromo2methyl, ethyl ester, Propionic acid, 2bromo2methyl, ethyl ester, 2-bromo-2-methyl-propanoic acid ethyl ester, 2-bromo-2-methyl-propionic acid ethyl ester, B0606, NS00003907, 2-bromo-2-methyl-propionic acid, ethyl ester, EN300-51259, D87241, A832565, Ethyl alpha-bromoisobutyrate, purum, >=97.0% (GC), F2190-0281, InChI=1/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3, 209-980-6 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-bromo-2-methylpropanoate |
| Prediction Hob | 0.0 |
| Xlogp | 1.9 |
| Molecular Formula | C6H11BrO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IOLQWGVDEFWYNP-UHFFFAOYSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -1.772 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.42 |
| Compound Name | Propanoic acid, 2-bromo-2-methyl-, ethyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 193.994 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.994 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 195.05 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0231472 |
| Inchi | InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3 |
| Smiles | CCOC(=O)C(C)(C)Br |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Source_db:cmaup_ingredients