Methyl 3-(Cyclopropylamino)-4-nitrobenzoate - CAS 1912589-06-0
Catalog: |
BB014803 |
Product Name: |
Methyl 3-(Cyclopropylamino)-4-nitrobenzoate |
CAS: |
1912589-06-0 |
Synonyms: |
3-(cyclopropylamino)-4-nitrobenzoic acid methyl ester; methyl 3-(cyclopropylamino)-4-nitrobenzoate |
IUPAC Name: | methyl 3-(cyclopropylamino)-4-nitrobenzoate |
Description: | Methyl 3-(Cyclopropylamino)-4-nitrobenzoate (CAS# 1912589-06-0 ) is a useful research chemical. |
Molecular Weight: | 236.22 |
Molecular Formula: | C11H12N2O4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC2CC2 |
InChI: | InChI=1S/C11H12N2O4/c1-17-11(14)7-2-5-10(13(15)16)9(6-7)12-8-3-4-8/h2,5-6,8,12H,3-4H2,1H3 |
InChI Key: | XGALTINTRDIPHE-UHFFFAOYSA-N |
LogP: | 2.55190 |
Publication Number | Title | Priority Date |
EP-3562306-A2 | Metalloenzyme inhibitor compounds | 20161229 |
TW-201831469-A | Metalase inhibitor compound, pharmaceutical composition, and method of using the same and the composition | 20161229 |
US-10538511-B2 | Metalloenzyme inhibitor compounds | 20161229 |
US-2018186773-A1 | Metalloenzyme inhibitor compounds | 20161229 |
WO-2018125799-A2 | Metalloenzyme inhibitor compounds | 20161229 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.07970687 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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