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887590-52-5 | Benzenamine, N-(cyclopentylmethyl)-3-(trifluoromethyl)-
CAS No: 887590-52-5 Catalog No: AG004BCB MDL No:
Product Description
Catalog Number:
AG004BCB
Chemical Name:
Benzenamine, N-(cyclopentylmethyl)-3-(trifluoromethyl)-
CAS Number:
887590-52-5
Molecular Formula:
C13H16F3N
Molecular Weight:
243.2680
IUPAC Name:
N-(cyclopentylmethyl)-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H16F3N/c14-13(15,16)11-6-3-7-12(8-11)17-9-10-4-1-2-5-10/h3,6-8,10,17H,1-2,4-5,9H2
InChI Key:
WSHXLOCTHPZAOF-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)NCC1CCCC1)(F)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.273g/mol
Monoisotopic Mass:
243.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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