3-Aminomethyl-5-fluorobenzoic Acid Methyl Ester - CAS 886732-31-6
Catalog: |
BB061418 |
Product Name: |
3-Aminomethyl-5-fluorobenzoic Acid Methyl Ester |
CAS: |
886732-31-6 |
Synonyms: |
METHYL 3-(AMINOMETHYL)-5-FLUOROBENZOATE; 3-Aminomethyl-5-fluorobenzoic Acid Methyl Ester; 3-Aminomethyl-5-fluoro-benzoic acid methyl ester; METHYL3-(AMINOMETHYL)-5-FLUOROBENZOATE |
IUPAC Name: | methyl 3-(aminomethyl)-5-fluorobenzoate |
Molecular Weight: | 183.18 |
Molecular Formula: | C9H10FNO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)CN)F |
InChI: | InChI=1S/C9H10FNO2/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4H,5,11H2,1H3 |
InChI Key: | VVMNZHAQERJTAW-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.06955672 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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