4-Fluoro-2-nitrophenoxyacetic acid - CAS 396-15-6
Catalog: |
BB065071 |
Product Name: |
4-Fluoro-2-nitrophenoxyacetic acid |
CAS: |
396-15-6 |
Synonyms: |
4-Fluoro-2-nitrophenoxyacetic acid; (4-fluoro-2-nitrophenoxy)acetic acid; 2-(4-fluoro-2-nitrophenoxy)acetic acid; 4-Fluoro-2-nitrophenoxyaceticacid |
IUPAC Name: | 2-(4-fluoro-2-nitrophenoxy)acetic acid |
Description: | 4-Fluoro-2-nitrophenoxyacetic acid |
Molecular Weight: | 215.14 |
Molecular Formula: | C8H6FNO5 |
Canonical SMILES: | C1=CC(=C(C=C1F)[N+](=O)[O-])OCC(=O)O |
InChI: | InChI=1S/C8H6FNO5/c9-5-1-2-7(15-4-8(11)12)6(3-5)10(13)14/h1-3H,4H2,(H,11,12) |
InChI Key: | HJYGFQJZJGUBLQ-UHFFFAOYSA-N |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.02300045 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.02300045 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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