Methyl 2-(4-Bromo-2-methyl-6-nitrophenoxy)acetate - CAS 943994-74-9
Catalog: |
BB041295 |
Product Name: |
Methyl 2-(4-Bromo-2-methyl-6-nitrophenoxy)acetate |
CAS: |
943994-74-9 |
Synonyms: |
2-(4-bromo-2-methyl-6-nitrophenoxy)acetic acid methyl ester; methyl 2-(4-bromo-2-methyl-6-nitrophenoxy)acetate |
IUPAC Name: | methyl 2-(4-bromo-2-methyl-6-nitrophenoxy)acetate |
Description: | Methyl 2-(4-Bromo-2-methyl-6-nitrophenoxy)acetate (CAS# 943994-74-9 ) is a useful research chemical. |
Molecular Weight: | 304.09 |
Molecular Formula: | C10H10BrNO5 |
Canonical SMILES: | CC1=CC(=CC(=C1OCC(=O)OC)[N+](=O)[O-])Br |
InChI: | InChI=1S/C10H10BrNO5/c1-6-3-7(11)4-8(12(14)15)10(6)17-5-9(13)16-2/h3-4H,5H2,1-2H3 |
InChI Key: | CFVIWXBRKCPIOJ-UHFFFAOYSA-N |
LogP: | 2.74070 |
Publication Number | Title | Priority Date |
CA-2635541-A1 | Fused heterocyclic compounds and their use as mineralocorticoid receptor ligands | 20051228 |
EP-1971596-A2 | Fused heterocyclic compounds and their use as mineralocorticoid receptor ligands | 20051228 |
JP-2009523701-A | Fused heterocyclic compounds and uses thereof | 20051228 |
US-2009253687-A1 | Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands | 20051228 |
WO-2007077961-A2 | Fused heterocyclic compounds and their use as mineralocorticoid receptor ligands | 20051228 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.97423 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.97423 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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