Methyl 3-(4-aminophenyl)-5-fluorobenzoate - CAS 1334499-98-7
Catalog: |
BB076098 |
Product Name: |
Methyl 3-(4-aminophenyl)-5-fluorobenzoate |
CAS: |
1334499-98-7 |
Synonyms: |
Methyl 3-(4-aminophenyl)-5-fluorobenzoate; Methyl 4'-amino-5-fluoro-[1,1'-biphenyl]-3-carboxylate; Methyl4'-amino-5-fluoro-[1,1'-biphenyl]-3-carboxylate |
IUPAC Name: | methyl 3-(4-aminophenyl)-5-fluorobenzoate |
Description: | Methyl 3-(4-aminophenyl)-5-fluorobenzoate |
Molecular Weight: | 245.25 |
Molecular Formula: | C14H12FNO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)N)F |
InChI: | InChI=1S/C14H12FNO2/c1-18-14(17)11-6-10(7-12(15)8-11)9-2-4-13(16)5-3-9/h2-8H,16H2,1H3 |
InChI Key: | UHULQFJYWSPSQN-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.08520679 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.08520679 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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