Benzonitrile,2-amino-3-fluoro- (115661-37-5)

The 2-Amino-3-fluorobenzonitrile with the cas number 115661-37-5, is also called 2-amino-3-fluoro-benzonitrile. The molecular formula of this chemical is C₇H₅FN₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

Properties Computed from Structure: (1)XLogP3-AA: 1.6; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 0; (5)Exact Mass: 136.043676; (6)MonoIsotopic Mass: 136.043676; (7)Topological Polar Surface Area: 49.8; (8)Heavy Atom Count: 10; (9)Formal Charge: 0; (10)Complexity: 160; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)F)N)C#N
(2)InChI: InChI=1S/C7H5FN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
(3)InChIKey: UNISSOLHERSZOW-UHFFFAOYSA-N