| CAS Number | 52574-82-0 |
| Catalog Number | AG00DMU6(AGN-PC-03VEAY) |
| Chemical Name | 2-Bromo-3-methylbutanoyl chloride |
| IUPAC Name | 2-bromo-3-methylbutanoyl chloride |
| InChI | InChI=1S/C5H8BrClO/c1-3(2)4(6)5(7)8/h3-4H,1-2H3 |
| InChI Key | MVYUMPZRKNBHOP-UHFFFAOYSA-N |
| MDL Number | MFCD00130154 |
| Molecular Formula | C5H8BrClO |
| Molecular Weight | 199.4734 |
| SMILES | CC(C(C(Cl)=O)Br)C |
| Synonyms | 2-bromo-3-methylbutanoyl chloride,
52574-82-0,
alpha-Bromoisovalerylchloride,
2-bromo-3-methylbutyryl chloride,
Bromisovalerylchlorid,
a-Bromoisovaleroyl chloride,
alpha-bromoisovaleryl chloride,
alpha-bromo-isovaleryl chloride,
2-Bromoisovaleric acid chloride,
SCHEMBL1605284,
CTK1G8227,
MVYUMPZRKNBHOP-UHFFFAOYSA-N,
2-Bromo-3-methyl butyryl chloride,
AKOS006275730,
NE43158,
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| Complexity | 92.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.472g/mol |
| Monoisotopic Mass | 197.945g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number