4-Amino-2-ethoxy-5-fluorobenzonitrile - CAS 1420800-17-4
Catalog: |
BB061348 |
Product Name: |
4-Amino-2-ethoxy-5-fluorobenzonitrile |
CAS: |
1420800-17-4 |
Synonyms: |
4-AMINO-2-ETHOXY-5-FLUOROBENZONITRILE |
IUPAC Name: | 4-amino-2-ethoxy-5-fluorobenzonitrile |
Description: | 4-Amino-2-ethoxy-5-fluorobenzonitrile |
Molecular Weight: | 180.18 |
Molecular Formula: | C9H9FN2O |
Canonical SMILES: | CCOC1=CC(=C(C=C1C#N)F)N |
InChI: | InChI=1S/C9H9FN2O/c1-2-13-9-4-8(12)7(10)3-6(9)5-11/h3-4H,2,12H2,1H3 |
InChI Key: | JGTVTCUMNOLFRG-UHFFFAOYSA-N |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.06989108 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.06989108 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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