1-(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine - CAS 1083318-22-2
Catalog: |
BB065372 |
Product Name: |
1-(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine |
CAS: |
1083318-22-2 |
Synonyms: |
(5-Fluoro-2,3-dihydrobenzofuran-2-yl)methanamine; (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine |
IUPAC Name: | (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine |
Description: | 1-(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine is a derivative of 5-Fluoro-2,3-dihydro-α-methyl-2-benzofuranmethanamine (CAS# 159009-11-7), which is useful for preparing fungicides. |
Molecular Weight: | 167.18 |
Molecular Formula: | C9H10FNO |
Canonical SMILES: | C1C(OC2=C1C=C(C=C2)F)CN |
InChI: | InChI=1S/C9H10FNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8H,4-5,11H2 |
InChI Key: | CDILJESEKTYKHI-UHFFFAOYSA-N |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.074642105 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.074642105 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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