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89807-67-0 | Benzenamine, 3-[3-[4-(trifluoromethyl)phenyl]propyl]-
CAS No: 89807-67-0 Catalog No: AG003Y9X MDL No:
Product Description
Catalog Number:
AG003Y9X
Chemical Name:
Benzenamine, 3-[3-[4-(trifluoromethyl)phenyl]propyl]-
CAS Number:
89807-67-0
Molecular Formula:
C16H16F3N
Molecular Weight:
279.3001
IUPAC Name:
3-[3-[4-(trifluoromethyl)phenyl]propyl]aniline
InChI:
InChI=1S/C16H16F3N/c17-16(18,19)14-9-7-12(8-10-14)3-1-4-13-5-2-6-15(20)11-13/h2,5-11H,1,3-4,20H2
InChI Key:
XOMPZZWWKFTIGY-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CCCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.306g/mol
Monoisotopic Mass:
279.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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