| CAS Number | 6214-22-8 |
| Catalog Number | AG00F3EV(AGN-PC-0ODN44) |
| Chemical Name | (Z)-3-BROMOPROPENOIC ACID METHYL ESTER |
| IUPAC Name | methyl (Z)-3-bromoprop-2-enoate |
| InChI | InChI=1S/C4H5BrO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2- |
| InChI Key | HGOGNLOBEAIJAM-IHWYPQMZSA-N |
| MDL Number | MFCD11109369 |
| Molecular Formula | C4H5BrO2 |
| Molecular Weight | 164.9853 |
| SMILES | COC(/C=CBr)=O |
| Synonyms | (Z)-3-Bromopropenoic acid methyl ester,
6214-22-8,
(Z)-3-Bromopropenoic acid methyl ester 95/5 Z/E,
3-Bromoacrylic acid, methyl ester,
AC1NSXG6,
methyl (z)-3-bromopropenoate,
HGOGNLOBEAIJAM-IHWYPQMZSA-N,
methyl (Z)-3-bromoprop-2-enoate,
methyl (2Z)-3-bromoprop-2-enoate,
ZINC13379807,
(Z)-3-Bromoacrylic acid methyl ester,
AKOS006306120,
Methyl (2Z)-3-bromo-2-propenoate #,
RP08221,
J-502607,
CID5371951,
2-Propenoic acid, 3-bromo-, methyl ester, (Z)-,
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| Complexity | 87.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 163.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.986g/mol |
| Monoisotopic Mass | 163.947g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number