| CAS Number | 55095-25-5 |
| Catalog Number | AG00DLJC(AGN-PC-0SIPVG) |
| Chemical Name | (3-fluorophenyl)(phenyl)methylamine |
| IUPAC Name | (3-fluorophenyl)-phenylmethanamine |
| InChI | InChI=1S/C13H12FN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13H,15H2 |
| InChI Key | CGZRUHXQDYRPLG-UHFFFAOYSA-N |
| MDL Number | MFCD09807591 |
| Molecular Formula | C13H12FN |
| Molecular Weight | 201.2395 |
| SMILES | c1ccc(cc1)C(c2cccc(c2)F)N |
| Synonyms | (3-fluorophenyl)(phenyl)methanamine,
55095-25-5,
SCHEMBL12696930,
(3-fluorophenyl)(phenyl)methylamine,
AKOS000169321,
AKOS022336034,
NE14484,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.244g/mol |
| Monoisotopic Mass | 201.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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