Home Other Building Blocks Benzenemethanamine, 4-methoxy-α-(trifluoromethyl)-

Benzenemethanamine, 4-methoxy-α-(trifluoromethyl)-

CAS No.:
179996-42-0
Catalog Number:
AG0021K5
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
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Product Description
Catalog Number:
AG0021K5
Chemical Name:
Benzenemethanamine, 4-methoxy-α-(trifluoromethyl)-
CAS Number:
179996-42-0
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
MDL Number:
MFCD06738690
IUPAC Name:
2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
InChI:
InChI=1S/C9H10F3NO/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8H,13H2,1H3
InChI Key:
WXWSEEIYIQOYNZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(F)(F)F)N
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.071g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.18g/mol
Monoisotopic Mass:
205.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties