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87294-19-7 | Benzenamine, 3-chloro-4-[4-(trifluoromethoxy)phenoxy]-
CAS No: 87294-19-7 Catalog No: AG004HYP MDL No:
Product Description
Catalog Number:
AG004HYP
Chemical Name:
Benzenamine, 3-chloro-4-[4-(trifluoromethoxy)phenoxy]-
CAS Number:
87294-19-7
Molecular Formula:
C13H9ClF3NO2
Molecular Weight:
303.6643
IUPAC Name:
3-chloro-4-[4-(trifluoromethoxy)phenoxy]aniline
InChI:
InChI=1S/C13H9ClF3NO2/c14-11-7-8(18)1-6-12(11)19-9-2-4-10(5-3-9)20-13(15,16)17/h1-7H,18H2
InChI Key:
KEQOHFAIUFHELL-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)Oc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.027g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.665g/mol
Monoisotopic Mass:
303.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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