Methyl 4-Amino-5-chloro-2-methoxybenzoate - CAS 20896-27-9
Catalog: |
BB016386 |
Product Name: |
Methyl 4-Amino-5-chloro-2-methoxybenzoate |
CAS: |
20896-27-9 |
Synonyms: |
4-amino-5-chloro-2-methoxybenzoic acid methyl ester; methyl 4-amino-5-chloro-2-methoxybenzoate |
IUPAC Name: | methyl 4-amino-5-chloro-2-methoxybenzoate |
Description: | Methyl 4-Amino-5-chloro-2-methoxybenzoate (CAS# 20896-27-9) is used in preparation of phenoxymethylpyridine derivatives as immunomodulators. |
Molecular Weight: | 215.63 |
Molecular Formula: | C9H10ClNO3 |
Canonical SMILES: | COC1=CC(=C(C=C1C(=O)OC)Cl)N |
InChI: | InChI=1S/C9H10ClNO3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,11H2,1-2H3 |
InChI Key: | ALYQFGBPEGLBLW-UHFFFAOYSA-N |
Boiling Point: | 372.3 °C at 760 mmHg |
Density: | 1.302 g/cm3 |
Appearance: | White powder |
LogP: | 2.29860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020210649-A1 | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
TW-202103708-A | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
WO-2020070088-A1 | Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181003 |
CN-112912371-A | Flavone derivatives for treating and preventing hepatitis B virus diseases | 20181003 |
EP-3860984-A1 | Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20181003 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0349209 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0349209 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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