4-(Benzyloxy)-1-bromobutan-2-one - CAS 185155-56-0
Catalog: |
BB061641 |
Product Name: |
4-(Benzyloxy)-1-bromobutan-2-one |
CAS: |
185155-56-0 |
Synonyms: |
4-benzyloxy-1-bromo-2-butanone; 1-bromo-4-phenylmethoxybutan-2-one; 4-(Benzyloxy)-1-bromobutan-2-one; 4-(Benzyloxy)-1-bromo-2-butanone |
IUPAC Name: | 1-bromo-4-phenylmethoxybutan-2-one |
Molecular Weight: | 257.12 |
Molecular Formula: | C11H13BrO2 |
Canonical SMILES: | C1=CC=C(C=C1)COCCC(=O)CBr |
InChI: | InChI=1S/C11H13BrO2/c12-8-11(13)6-7-14-9-10-4-2-1-3-5-10/h1-5H,6-9H2 |
InChI Key: | VVCVDICHBDQBEO-UHFFFAOYSA-N |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.00989 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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