Molecular Weight:172.584043 [g/mol]
Molecular Formula:C8H6ClFO
XLogP3-AA:2.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:172.009121
MonoIsotopic Mass:172.009121
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Formal Charge:0
Complexity:160
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4
Safety and Handling
【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/38
【Safety Statements 】
S26;S36
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】
Hazard Note of 2'-Chloro-6'-fluoroacetophenone (87327-69-3) : Irritant
Hazard Codes: Xi
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing