3-Fluoro-4-hydroxy-N,N-dimethylbenzamide - CAS 1236284-45-9
Catalog: |
BB072964 |
Product Name: |
3-Fluoro-4-hydroxy-N,N-dimethylbenzamide |
CAS: |
1236284-45-9 |
Synonyms: |
3-FLUORO-4-HYDROXY-N,N-DIMETHYLBENZAMIDE |
IUPAC Name: | 3-fluoro-4-hydroxy-N,N-dimethylbenzamide |
Molecular Weight: | 183.18 |
Molecular Formula: | C9H10NO2F |
Canonical SMILES: | CN(C)C(=O)C1=CC(=C(C=C1)O)F |
InChI: | InChI=1S/C9H10FNO2/c1-11(2)9(13)6-3-4-8(12)7(10)5-6/h3-5,12H,1-2H3 |
InChI Key: | ATEDSKJUHQPXGU-UHFFFAOYSA-N |
References: | Darout, E., et al. J. Med. Chem., 56, 301 (2013). |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.06955672 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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