Methyl 3-Chloro-5-hydroxybenzoate - CAS 98406-04-3
Catalog: |
BB075942 |
Product Name: |
Methyl 3-Chloro-5-hydroxybenzoate |
CAS: |
98406-04-3 |
Synonyms: |
METHYL 3-CHLORO-5-HYDROXYBENZOATE; 3-CHLORO-5-HYDROXY-BENZOIC ACID METHYL ESTER; 3-Chloro-5-hydroxybenzoic acid methyl ester; Benzoic acid, 3-chloro-5-hydroxy-, methyl ester |
IUPAC Name: | methyl 3-chloro-5-hydroxybenzoate |
Description: | Methyl 3-chloro-5-hydroxybenzoate |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7ClO3 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)Cl)O |
InChI: | InChI=1S/C8H7ClO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3 |
InChI Key: | AUILWNSXFXPDID-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: | 186.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0083718 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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