4-Bromo-2-ethoxybenzyl alcohol - CAS 1094750-85-2
Catalog: |
BB071552 |
Product Name: |
4-Bromo-2-ethoxybenzyl alcohol |
CAS: |
1094750-85-2 |
Synonyms: |
4-Bromo-2-ethoxybenzyl alcohol; (4-bromo-2-ethoxyphenyl)methanol; 4-Bromo-2-ethoxybenzylalcohol |
IUPAC Name: | (4-bromo-2-ethoxyphenyl)methanol |
Molecular Weight: | 231.09 |
Molecular Formula: | C9H11BrO2 |
Canonical SMILES: | CCOC1=C(C=CC(=C1)Br)CO |
InChI: | InChI=1S/C9H11BrO2/c1-2-12-9-5-8(10)4-3-7(9)6-11/h3-5,11H,2,6H2,1H3 |
InChI Key: | AZSHSHCSQMPIEB-UHFFFAOYSA-N |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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