Molecular Weight:200.02152 [g/mol]
Molecular Formula:C8H3Cl2NO
XLogP3-AA:2.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:198.959169
MonoIsotopic Mass:198.959169
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Formal Charge:0
Complexity:233
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:2
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;
【Hazard Note】
Irritant
【Safety】
Safety Information of 2,3-Dichlorobenzoyl cyanide (CAS NO.77668-42-9):
Hazard Codes: Xi
Hazard Note: Irritant