Methyl 3-[(4-Cbz-amino)phenyl]-2-fluorobenzoate - CAS 1381944-37-1
Catalog: |
BB059315 |
Product Name: |
Methyl 3-[(4-Cbz-amino)phenyl]-2-fluorobenzoate |
CAS: |
1381944-37-1 |
Synonyms: |
Methyl 4'-(((benzyloxy)carbonyl)amino)-2-fluoro-[1,1'-biphenyl]-3-carboxylate; Methyl 3-[(4-Cbz-amino)phenyl]-2-fluorobenzoate; methyl 2-fluoro-3-[4-(phenylmethoxycarbonylamino)phenyl]benzoate |
IUPAC Name: | methyl 2-fluoro-3-[4-(phenylmethoxycarbonylamino)phenyl]benzoate |
Description: | Methyl 3-[(4-Cbz-amino)phenyl]-2-fluorobenzoate |
Molecular Weight: | 379.38 |
Molecular Formula: | C22H18FNO4 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1F)C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C22H18FNO4/c1-27-21(25)19-9-5-8-18(20(19)23)16-10-12-17(13-11-16)24-22(26)28-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,24,26) |
InChI Key: | SWFHSVRZULQPEA-UHFFFAOYSA-N |
Complexity: | 515 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 379.12198622 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 379.12198622 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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