2-Chloro-4-(trifluoromethoxy)benzenemethanamine - CAS 874571-72-9
Catalog: |
BB055534 |
Product Name: |
2-Chloro-4-(trifluoromethoxy)benzenemethanamine |
CAS: |
874571-72-9 |
Synonyms: |
(2-chloro-4-(trifluoromethoxy)phenyl)methanamine; [2-chloro-4-(trifluoromethoxy)phenyl]methanamine; 2-chloro-4-(trifluoromethoxy)benzylamine |
IUPAC Name: | [2-chloro-4-(trifluoromethoxy)phenyl]methanamine |
Description: | 2-Chloro-4-(trifluoromethoxy)benzenemethanamine, is a building block used in the synthesis of various chemical compounds. |
Molecular Weight: | 225.6 |
Molecular Formula: | C8H7ClF3NO |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)(F)F)Cl)CN |
InChI: | InChI=1S/C8H7ClF3NO/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3H,4,13H2 |
InChI Key: | PGMDWCRSNWLKIU-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.016826 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.016826 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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