Methyl 5-Amino-2-chloro-4-methylbenzoate - CAS 1143026-47-4
Catalog: |
BB003382 |
Product Name: |
Methyl 5-Amino-2-chloro-4-methylbenzoate |
CAS: |
1143026-47-4 |
Synonyms: |
5-amino-2-chloro-4-methylbenzoic acid methyl ester; methyl 5-amino-2-chloro-4-methylbenzoate |
IUPAC Name: | methyl 5-amino-2-chloro-4-methylbenzoate |
Description: | Methyl 5-Amino-2-chloro-4-methylbenzoate (CAS# 1143026-47-4 ) is a useful research chemical. |
Molecular Weight: | 199.63 |
Molecular Formula: | C9H10ClNO2 |
Canonical SMILES: | CC1=C(C=C(C(=C1)Cl)C(=O)OC)N |
InChI: | InChI=1S/C9H10ClNO2/c1-5-3-7(10)6(4-8(5)11)9(12)13-2/h3-4H,11H2,1-2H3 |
InChI Key: | KJIYGTNOTZLPFW-UHFFFAOYSA-N |
LogP: | 2.59840 |
Publication Number | Title | Priority Date |
AU-2009331667-A1 | Dihydropyridone amides as P2X7 modulators | 20081223 |
CA-2747925-A1 | Dihydropyridone amides as p2x7 modulators | 20081223 |
CN-102264702-B | Dihydropyridone amides as p2x7 modulators | 20081223 |
EP-2391604-A1 | Dihydropyridone amides as p2x7 modulators | 20081223 |
JP-2012513436-A | Dihydropyridone amide as a P2X7 modulator | 20081223 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0400063 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Amines and Anilines
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