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Cas Database |
| Name |
2-Amino-3-fluorobenzonitrile |
EINECS | N/A |
| CAS No. | 115661-37-5 | Density | 1.256 g/cm3 |
| PSA | 49.81000 | LogP | 1.86078 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H5FN2 | Boiling Point | 252.363 °C at 760 mmHg |
| Molecular Weight | 136.129 | Flash Point | 106.426 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Cyano-6-fluoroaniline; |
Article Data | 8 |
2-Amino-3-fluorobenzonitrile Specification
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
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