Methyl 3-bromo-2-hydroxybenzoate - CAS 28165-45-9
Catalog: |
BB075957 |
Product Name: |
Methyl 3-bromo-2-hydroxybenzoate |
CAS: |
28165-45-9 |
Synonyms: |
Methyl 3-bromo-2-hydroxybenzoate; Methyl3-bromo-2-hydroxybenzoate |
IUPAC Name: | methyl 3-bromo-2-hydroxybenzoate |
Description: | Methyl 3-bromo-2-hydroxybenzoate |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)Br)O |
InChI: | InChI=1S/C8H7BrO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3 |
InChI Key: | WZHOTUVSKJWGMS-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.95786 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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