sec-Butyl 2-Bromoacetate - CAS 5205-36-7
Catalog: |
BB071553 |
Product Name: |
sec-Butyl 2-Bromoacetate |
CAS: |
5205-36-7 |
Synonyms: |
Sec-butyl bromoacetate; SEC-BUTYL 2-BROMOACETATE; butan-2-yl 2-bromoacetate; Bromoacetic acid, 2-butyl ester; Bromoacetic acid sec-butyl ester; Acetic acid, bromo, 1-mehylpropyl ester |
IUPAC Name: | butan-2-yl 2-bromoacetate |
Molecular Weight: | 195.05 |
Molecular Formula: | C6H11BrO2 |
Canonical SMILES: | CCC(C)OC(=O)CBr |
InChI: | InChI=1S/C6H11BrO2/c1-3-5(2)9-6(8)4-7/h5H,3-4H2,1-2H3 |
InChI Key: | AYUZHUMAYBBDJY-UHFFFAOYSA-N |
Complexity: | 93.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.99424 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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