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887580-88-3 | 3-(3,5-DIFLUORO-PHENOXY)-PHENYLAMINE
CAS No: 887580-88-3 Catalog No: AG004CE9 MDL No:
Product Description
Catalog Number:
AG004CE9
Chemical Name:
3-(3,5-DIFLUORO-PHENOXY)-PHENYLAMINE
CAS Number:
887580-88-3
Molecular Formula:
C12H9F2NO
Molecular Weight:
221.2028
IUPAC Name:
3-(3,5-difluorophenoxy)aniline
InChI:
InChI=1S/C12H9F2NO/c13-8-4-9(14)6-12(5-8)16-11-3-1-2-10(15)7-11/h1-7H,15H2
InChI Key:
FWFSRUCDLHUJHX-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Oc1cc(F)cc(c1)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.207g/mol
Monoisotopic Mass:
221.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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