| CAS Number | 40053-01-8 |
| Catalog Number | AG00BZA3(AGN-PC-0O9Y3M) |
| Chemical Name | (E)-3-Bromo-2-methyl-acrylic acid methyl ester |
| IUPAC Name | methyl (E)-3-bromo-2-methylprop-2-enoate |
| InChI | InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h3H,1-2H3/b4-3+ |
| InChI Key | HQKAHZMYDADHPE-ONEGZZNKSA-N |
| MDL Number | MFCD00154501 |
| Molecular Formula | C5H7BrO2 |
| Molecular Weight | 179.0119 |
| SMILES | COC(/C(/C)=C/Br)=O |
| Synonyms | 40053-01-8,
3-bromo-2-methyl methyl acrylate,
(E)-3-Bromo-2-methyl-acrylic acid methyl ester,
methyl (E)-3-bromo-2-methylprop-2-enoate,
3-BROMO-2-METHYL-ACRYLIC ACID METHYL ESTER,
AC1O47OS,
AC1Q41LF,
SCHEMBL1821221,
E-methyl 3-bromo-2-methylpropenoate,
MFCD00154501,
ZINC12416531,
methyl (E)-3-bromo-2-methylacrylate,
AKOS006271602,
(E)-3-Bromomethacrylic acid methyl ester,
OR346254,
2-Methyl-3-bromoacrylic acid methyl ester,
methyl (2E)-3-bromo-2-methylprop-2-enoate,
(E)-Methyl 3-bromo-2-methylacrylate,
CID6380870,
Methyl 3-bromo-2-methyl-prop-2-enoate,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 177.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.013g/mol |
| Monoisotopic Mass | 177.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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