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1556770-90-1

1556770-90-1 | 3-Isobutoxy-5-(trifluoromethyl)benzenamine

CAS No: 1556770-90-1 Catalog No: AG01FBDJ MDL No:

Product Description

Catalog Number:
AG01FBDJ
Chemical Name:
3-Isobutoxy-5-(trifluoromethyl)benzenamine
CAS Number:
1556770-90-1
Molecular Formula:
C11H14F3NO
Molecular Weight:
233.2302
IUPAC Name:
3-(2-methylpropoxy)-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H14F3NO/c1-7(2)6-16-10-4-8(11(12,13)14)3-9(15)5-10/h3-5,7H,6,15H2,1-2H3
InChI Key:
JSJNNPOXALTIJU-UHFFFAOYSA-N
SMILES:
CC(COc1cc(N)cc(c1)C(F)(F)F)C

Properties

Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.234g/mol
Monoisotopic Mass:
233.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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