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2-amino-4-(trifluoromethoxy)benzonitrile

2-amino-4-(trifluoromethoxy)benzonitrile

CAS: 1260847-67-3

Formula: C8H5F3N2O

SMILES: NC1=C(C=CC(OC(F)(F)F)=C1)C#N

IUPAC: 2-amino-4-(trifluoromethoxy)benzonitrile

InChI: InChI=1S/C8H5F3N2O/c9-8(10,11)14-6-2-1-5(4-12)7(13)3-6/h1-3H,13H2

Composition: C (47.54%), H (2.49%), F (28.20%), N (13.86%), O (7.91%)

Molar Mass: 202.136

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 202.035397278
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AHMPXTDNCULSNA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.55
Topological Polar Surface Area 59.04
Polarizability 15.33
Ring Count 1
Rotatable Bond Count 2

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