Methyl 2-(4-Bromo-2-nitrophenyl)-2-(dimethoxyphosphoryl)acetate - CAS 1094851-34-9
Catalog: |
BB002494 |
Product Name: |
Methyl 2-(4-Bromo-2-nitrophenyl)-2-(dimethoxyphosphoryl)acetate |
CAS: |
1094851-34-9 |
Synonyms: |
2-(4-bromo-2-nitrophenyl)-2-dimethoxyphosphorylacetic acid methyl ester; methyl 2-(4-bromo-2-nitrophenyl)-2-dimethoxyphosphorylacetate |
IUPAC Name: | methyl 2-(4-bromo-2-nitrophenyl)-2-dimethoxyphosphorylacetate |
Description: | Methyl 2-(4-Bromo-2-nitrophenyl)-2-(dimethoxyphosphoryl)acetate (CAS# 1094851-34-9 ) is a useful research chemical. |
Molecular Weight: | 382.10 |
Molecular Formula: | C11H13BrNO7P |
Canonical SMILES: | COC(=O)C(C1=C(C=C(C=C1)Br)[N+](=O)[O-])P(=O)(OC)OC |
InChI: | InChI=1S/C11H13BrNO7P/c1-18-11(14)10(21(17,19-2)20-3)8-5-4-7(12)6-9(8)13(15)16/h4-6,10H,1-3H3 |
InChI Key: | XIRAHLCXPAIGEO-UHFFFAOYSA-N |
LogP: | 3.58050 |
Publication Number | Title | Priority Date |
WO-2009002955-A1 | Process for the preparation of (2r)-2-[4-(7-bromo-2-quinolyloxy)phenoxy]propanoic acid | 20070627 |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 380.9613 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 380.9613 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 108 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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