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4-(2-chloro-1,1,2-trifluoroethoxy)aniline

4-(2-chloro-1,1,2-trifluoroethoxy)aniline

CAS: 403-61-2

Formula: C8H7ClF3NO

SMILES: NC1=CC=C(OC(F)(F)C(F)Cl)C=C1

IUPAC: 4-(2-chloro-1,1,2-trifluoroethoxy)aniline

InChI: InChI=1/C8H7ClF3NO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H,13H2

Composition: C (42.59%), H (3.13%), Cl (15.71%), F (25.26%), N (6.21%), O (7.09%)

Molar Mass: 225.6

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 225.016826
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KRJGYZGOFPUZRH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.27
Topological Polar Surface Area 35.25
Polarizability 17.2
Ring Count 1
Rotatable Bond Count 3

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