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1369821-28-2 | 3-(Cyclopropylmethoxy)-5-(trifluoromethyl)benzenamine
CAS No: 1369821-28-2 Catalog No: AG01F8A4 MDL No:
Product Description
Catalog Number:
AG01F8A4
Chemical Name:
3-(Cyclopropylmethoxy)-5-(trifluoromethyl)benzenamine
CAS Number:
1369821-28-2
Molecular Formula:
C11H12F3NO
Molecular Weight:
231.2143
IUPAC Name:
3-(cyclopropylmethoxy)-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H12F3NO/c12-11(13,14)8-3-9(15)5-10(4-8)16-6-7-1-2-7/h3-5,7H,1-2,6,15H2
InChI Key:
MTISGZJKZNDBPO-UHFFFAOYSA-N
SMILES:
Nc1cc(OCC2CC2)cc(c1)C(F)(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:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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