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832099-33-9 | Benzenamine, 4-(pentyloxy)-3-(trifluoromethyl)-
CAS No: 832099-33-9 Catalog No: AG004ZDO MDL No:
Product Description
Catalog Number:
AG004ZDO
Chemical Name:
Benzenamine, 4-(pentyloxy)-3-(trifluoromethyl)-
CAS Number:
832099-33-9
Molecular Formula:
C12H16F3NO
Molecular Weight:
247.2567
IUPAC Name:
4-pentoxy-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C12H16F3NO/c1-2-3-4-7-17-11-6-5-9(16)8-10(11)12(13,14)15/h5-6,8H,2-4,7,16H2,1H3
InChI Key:
ABGXLERQYNTJCY-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1C(F)(F)F)N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.261g/mol
Monoisotopic Mass:
247.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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