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122051-22-3 | 1-Butanamine, N-[[2-(trifluoromethyl)phenyl]methylene]-
CAS No: 122051-22-3 Catalog No: AG0016OO MDL No:
Product Description
Catalog Number:
AG0016OO
Chemical Name:
1-Butanamine, N-[[2-(trifluoromethyl)phenyl]methylene]-
CAS Number:
122051-22-3
Molecular Formula:
C12H14F3N
Molecular Weight:
229.2415
IUPAC Name:
N-butyl-1-[2-(trifluoromethyl)phenyl]methanimine
InChI:
InChI=1S/C12H14F3N/c1-2-3-8-16-9-10-6-4-5-7-11(10)12(13,14)15/h4-7,9H,2-3,8H2,1H3
InChI Key:
YQIRYCYBNQFVCO-UHFFFAOYSA-N
SMILES:
CCCCN=Cc1ccccc1C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.246g/mol
Monoisotopic Mass:
229.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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