| CAS Number | 59032-45-0 |
| Catalog Number | AG00ER2Z(AGN-PC-0NF9EL) |
| Chemical Name | 2-(Bromomethyl)but-1-ene |
| IUPAC Name | 2-(bromomethyl)but-1-ene |
| InChI | InChI=1S/C5H9Br/c1-3-5(2)4-6/h2-4H2,1H3 |
| InChI Key | GGSSDTPXFJPNNS-UHFFFAOYSA-N |
| MDL Number | MFCD20621327 |
| Molecular Formula | C5H9Br |
| Molecular Weight | 149.0290 |
| SMILES | CCC(CBr)=C |
| Synonyms | 2-(bromomethyl)but-1-ene,
59032-45-0,
1-Butene, 2-(bromomethyl)-,
2-(bromomethyl)-1-butene,
SCHEMBL2100526,
CTK1E8313,
DTXSID00453739,
ZINC83821927,
AKOS017529137,
NE59603,
CID11062538,
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| Complexity | 47.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.031g/mol |
| Monoisotopic Mass | 147.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number