Ethyl 4-(Methylamino)-3-nitrobenzoate - CAS 71254-71-2
Catalog: |
BB034335 |
Product Name: |
Ethyl 4-(Methylamino)-3-nitrobenzoate |
CAS: |
71254-71-2 |
Synonyms: |
4-(methylamino)-3-nitrobenzoic acid ethyl ester; ethyl 4-(methylamino)-3-nitrobenzoate |
IUPAC Name: | ethyl 4-(methylamino)-3-nitrobenzoate |
Description: | Ethyl 4-(Methylamino)-3-nitrobenzoate (CAS# 71254-71-2) is a useful research chemical compound. |
Molecular Weight: | 224.21 |
Molecular Formula: | C10H12N2O4 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-] |
InChI: | InChI=1S/C10H12N2O4/c1-3-16-10(13)7-4-5-8(11-2)9(6-7)12(14)15/h4-6,11H,3H2,1-2H3 |
InChI Key: | VBBWOFYWXQZACX-UHFFFAOYSA-N |
LogP: | 2.40940 |
Publication Number | Title | Priority Date |
US-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
TW-202104211-A | Hmox1 inducers | 20190412 |
CA-2804225-A1 | Heterocyclic compound and p27kip1 degradation inhibitor | 20100702 |
CA-2804225-C | Heterocyclic compound and p27kip1 degradation inhibitor | 20100702 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.07970687 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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