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887590-17-2 | Benzenamine,N-(cyclobutylmethyl)-4-(trifluoromethyl)-
CAS No: 887590-17-2 Catalog No: AG004BL4 MDL No:
Product Description
Catalog Number:
AG004BL4
Chemical Name:
Benzenamine,N-(cyclobutylmethyl)-4-(trifluoromethyl)-
CAS Number:
887590-17-2
Molecular Formula:
C12H14F3N
Molecular Weight:
229.2415
IUPAC Name:
N-(cyclobutylmethyl)-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C12H14F3N/c13-12(14,15)10-4-6-11(7-5-10)16-8-9-2-1-3-9/h4-7,9,16H,1-3,8H2
InChI Key:
IWJPUXYRVIHBEF-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)NCC1CCC1)(F)F
Properties
Complexity:
215
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:
1
Isotope Atom Count:
0
Molecular Weight:
229.246g/mol
Monoisotopic Mass:
229.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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