4-Fluoro-5-hydroxy-2-nitrobenzoic acid - CAS 38569-85-6
Catalog: |
BB065018 |
Product Name: |
4-Fluoro-5-hydroxy-2-nitrobenzoic acid |
CAS: |
38569-85-6 |
Synonyms: |
4-FLUORO-5-HYDROXY-2-NITROBENZOIC ACID |
IUPAC Name: | 4-fluoro-5-hydroxy-2-nitrobenzoic acid |
Description: | 4-Fluoro-5-hydroxy-2-nitrobenzoic acid |
Molecular Weight: | 201.11 |
Molecular Formula: | C7H4FNO5 |
Canonical SMILES: | C1=C(C(=CC(=C1O)F)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C7H4FNO5/c8-4-2-5(9(13)14)3(7(11)12)1-6(4)10/h1-2,10H,(H,11,12) |
InChI Key: | XEQZNNJOVGASTE-UHFFFAOYSA-N |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.00735039 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.00735039 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 103Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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