Dimethyl 4-Bromo-2-nitrobenzylphosphonate - CAS 1094851-36-1
Catalog: |
BB002495 |
Product Name: |
Dimethyl 4-Bromo-2-nitrobenzylphosphonate |
CAS: |
1094851-36-1 |
Synonyms: |
4-bromo-1-(dimethoxyphosphorylmethyl)-2-nitrobenzene; 4-bromo-1-(dimethoxyphosphorylmethyl)-2-nitrobenzene |
IUPAC Name: | 4-bromo-1-(dimethoxyphosphorylmethyl)-2-nitrobenzene |
Description: | Dimethyl 4-Bromo-2-nitrobenzylphosphonate (CAS# 1094851-36-1 ) is a useful research chemical. |
Molecular Weight: | 324.07 |
Molecular Formula: | C9H11BrNO5P |
Canonical SMILES: | COP(=O)(CC1=C(C=C(C=C1)Br)[N+](=O)[O-])OC |
InChI: | InChI=1S/C9H11BrNO5P/c1-15-17(14,16-2)6-7-3-4-8(10)5-9(7)11(12)13/h3-5H,6H2,1-2H3 |
InChI Key: | GJIYFBGXDACQON-UHFFFAOYSA-N |
LogP: | 3.86640 |
Publication Number | Title | Priority Date |
TW-200918505-A | Process for the preparation of (2R)-2-[4-(7-bromo-2-quinolyloxy)phenoxy]propanoic acid | 20070627 |
WO-2009002955-A1 | Process for the preparation of (2r)-2-[4-(7-bromo-2-quinolyloxy)phenoxy]propanoic acid | 20070627 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.95582 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.95582 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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