Methyl 4-Amino-5-chloro-2-methoxybenzoate Hydrochloride - CAS 130312-40-2
Catalog: |
BB059976 |
Product Name: |
Methyl 4-Amino-5-chloro-2-methoxybenzoate Hydrochloride |
CAS: |
130312-40-2 |
Synonyms: |
3-Carbomethoxy-1-chloro-4-methoxyanaline; 4-Amino-5-chloro-2-methoxybenzoic Acid Methyl Ester; 4-Amino-5-chloro-o-anisic Acid Methyl Ester; Methyl 4-Amino-5-chloro-2-methoxybenzoate |
IUPAC Name: | methyl 4-amino-5-chloro-2-methoxybenzoatehydrochloride |
Description: | Methyl 4-Amino-5-chloro-2-methoxybenzoate is used in the preparation of cyclohexenylphenyl pyrrolobenzodiazepine-3-carboxamides as tocolytic oxytocin receptor antagonists. |
Molecular Weight: | 215.63 + (36.46) |
Molecular Formula: | C9H10ClNO3·HCl |
Canonical SMILES: | COC1=CC(=C(C=C1C(=O)OC)Cl)N.Cl |
InChI: | InChI=1S/C9H10ClNO3.ClH/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,11H2,1-2H31H |
InChI Key: | KUFDIVILMYFZOU-UHFFFAOYSA-N |
Melting Point: | >164°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.0115986 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.0115986 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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