4-Bromobutyl 2-bromoacetate - CAS 180386-87-2
Catalog: |
BB072300 |
Product Name: |
4-Bromobutyl 2-bromoacetate |
CAS: |
180386-87-2 |
Synonyms: |
4-bromobutyl 2-bromoacetate; 4-bromobutyl bromoacetate; 4-bromobutyl2-bromoacetate; Bromoacetic acid 4-bromobutyl ester |
IUPAC Name: | 4-bromobutyl 2-bromoacetate |
Description: | 4-Bromobutyl 2-bromoacetate |
Molecular Weight: | 273.95 |
Molecular Formula: | C6H10Br2O2 |
Canonical SMILES: | C(CCBr)COC(=O)CBr |
InChI: | InChI=1S/C6H10Br2O2/c7-3-1-2-4-10-6(9)5-8/h1-5H2 |
InChI Key: | RGAGIIBZSLWICB-UHFFFAOYSA-N |
Complexity: | 95.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.90271 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.90475 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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