Methyl 5-(3-aminophenyl)-2-fluorobenzoate hydrochloride - CAS 1373232-80-4
Catalog: |
BB075835 |
Product Name: |
Methyl 5-(3-aminophenyl)-2-fluorobenzoate hydrochloride |
CAS: |
1373232-80-4 |
Synonyms: |
Methyl 3'-amino-4-fluoro-[1,1'-biphenyl]-3-carboxylate hydrochloride; METHYL 5-(3-AMINOPHENYL)-2-FLUOROBENZOATE, HCL; methyl 5-(3-aminophenyl)-2-fluorobenzoate; hydrochloride; Methyl 5-(3-aminophenyl)-2-fluorobenzoate HCl; Methyl 5-(3-aminophenyl)-2-fluorobenzoate hydrochloride |
IUPAC Name: | methyl 5-(3-aminophenyl)-2-fluorobenzoatehydrochloride |
Description: | Methyl 5-(3-aminophenyl)-2-fluorobenzoate, HCl |
Molecular Weight: | 281.71 |
Molecular Formula: | C14H13ClFNO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=C1)C2=CC(=CC=C2)N)F.Cl |
InChI: | InChI=1S/C14H12FNO2.ClH/c1-18-14(17)12-8-10(5-6-13(12)15)9-3-2-4-11(16)7-9/h2-8H,16H2,1H31H |
InChI Key: | JJKTXDIRTJNMDQ-UHFFFAOYSA-N |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.0618845 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.0618845 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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