Methyl 4-(4-aminophenyl)-2-fluorobenzoate - CAS 1334500-05-8
Catalog: |
BB076097 |
Product Name: |
Methyl 4-(4-aminophenyl)-2-fluorobenzoate |
CAS: |
1334500-05-8 |
Synonyms: |
Methyl 4-(4-aminophenyl)-2-fluorobenzoate; Methyl 4'-amino-3-fluoro-[1,1'-biphenyl]-4-carboxylate; Methyl4'-amino-3-fluoro-[1,1'-biphenyl]-4-carboxylate |
IUPAC Name: | methyl 4-(4-aminophenyl)-2-fluorobenzoate |
Description: | Methyl 4-(4-aminophenyl)-2-fluorobenzoate |
Molecular Weight: | 245.25 |
Molecular Formula: | C14H12FNO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)N)F |
InChI: | InChI=1S/C14H12FNO2/c1-18-14(17)12-7-4-10(8-13(12)15)9-2-5-11(16)6-3-9/h2-8H,16H2,1H3 |
InChI Key: | XQXNCOKBZNIVJA-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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