Methyl 3-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoate - CAS 1381944-34-8
Catalog: |
BB056468 |
Product Name: |
Methyl 3-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoate |
CAS: |
1381944-34-8 |
Synonyms: |
Methyl 3-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoate; Methyl 4'-(dimethylcarbamoyl)-2-fluoro-[1,1'-biphenyl]-3-carboxylate; Methyl4'-(dimethylcarbamoyl)-2-fluoro-[1,1'-biphenyl]-3-carboxylate; Methyl 4'-(dimethylcarbamoyl)-2-fluoro[1,1'-biphenyl]-3-carboxylate |
IUPAC Name: | methyl 3-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoate |
Description: | Methyl 3-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoate |
Molecular Weight: | 301.31 |
Molecular Formula: | C17H16FNO3 |
Canonical SMILES: | CN(C)C(=O)C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)OC)F |
InChI: | InChI=1S/C17H16FNO3/c1-19(2)16(20)12-9-7-11(8-10-12)13-5-4-6-14(15(13)18)17(21)22-3/h4-10H,1-3H3 |
InChI Key: | LOVCCNFPNFQVGE-UHFFFAOYSA-N |
Complexity: | 405 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.11142153 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.11142153 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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