Methyl 4-Azido-2,6-difluorobenzoate - CAS 1354954-17-8
Catalog: |
BB008204 |
Product Name: |
Methyl 4-Azido-2,6-difluorobenzoate |
CAS: |
1354954-17-8 |
Synonyms: |
4-azido-2,6-difluorobenzoic acid methyl ester; methyl 4-azido-2,6-difluorobenzoate |
IUPAC Name: | methyl 4-azido-2,6-difluorobenzoate |
Description: | Methyl 4-Azido-2,6-difluorobenzoate (CAS# 1354954-17-8) is a useful research chemical. |
Molecular Weight: | 213.14 |
Molecular Formula: | C8H5F2N3O2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1F)N=[N+]=[N-])F |
InChI: | InChI=1S/C8H5F2N3O2/c1-15-8(14)7-5(9)2-4(12-13-11)3-6(7)10/h2-3H,1H3 |
InChI Key: | KNHGHIOIGRZEIU-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2002091262-A1 | Substituted aryl or heteroarylamides having retinoid-like biological activity | 19951122 |
US-6051713-A | Substituted aryl or heteroarylamides having retinoid-like biological activity | 19951122 |
US-6245786-B1 | Substituted aryl or heteroarylamides having retinoid-like biological activity | 19951122 |
US-6320047-B1 | Substituted aryl or heteroarylamides having retinoid-like biological activity | 19951122 |
US-6437129-B1 | Substituted aryl or heteroarylamides having retinoid-like biological activity | 19951122 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.03498273 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.03498273 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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