2-Amino-4-chloro-5-hydroxybenzoic Acid Methyl Ester Hydrochloride - CAS 1113049-83-4
Catalog: |
BB074930 |
Product Name: |
2-Amino-4-chloro-5-hydroxybenzoic Acid Methyl Ester Hydrochloride |
CAS: |
1113049-83-4 |
Synonyms: |
2-Amino-4-chloro-5-hydroxybenzoic Acid Methyl Ester Hydrochloride; methyl 2-amino-4-chloro-5-hydroxybenzoate; hydrochloride; Methyl 2-amino-4-chloro-5-hydroxybenzoate hydrochloride |
IUPAC Name: | methyl 2-amino-4-chloro-5-hydroxybenzoatehydrochloride |
Molecular Weight: | 238.07 |
Molecular Formula: | C8H9Cl2NO3 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1N)Cl)O.Cl |
InChI: | InChI=1S/C8H8ClNO3.ClH/c1-13-8(12)4-2-7(11)5(9)3-6(4)10/h2-3,11H,10H2,1H31H |
InChI Key: | PPISZOFSVWMIMD-UHFFFAOYSA-N |
Solubility: | DCM, Methanol |
Appearance: | Grey Solid |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.9959485 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.9959485 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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