Home Other Building Blocks 3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)aniline

3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)aniline

CAS No.:
1820739-98-7
Catalog Number:
AG01BCID
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BCID
Chemical Name:
3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)aniline
CAS Number:
1820739-98-7
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
MDL Number:
MFCD29033808
IUPAC Name:
3-(oxetan-3-ylmethyl)-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H12F3NO/c12-11(13,14)10-2-1-9(15)4-8(10)3-7-5-16-6-7/h1-2,4,7H,3,5-6,15H2
InChI Key:
YRLNIKIBRFUFGR-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1CC1COC1)N)(F)F
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.218g/mol
Monoisotopic Mass:
231.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties