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Chemical Product CAS:84474-05-53-chloro-N-(2,3-dimethoxybenzyl)-4-methylaniline


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3-chloro-N-(2,3-dimethoxybenzyl)-4-methylanil ( CASNO:84474-05-5 )

Identification and Related Records
CAS Registry number:
Iupac name:
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Boiling Point:
407.6°C at 760 mmHg
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:291.77262 [g/mol]
Molecular Formula:C16H18ClNO2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:291.102607
MonoIsotopic Mass:291.102607
Topological Polar Surface Area:30.5
Heavy Atom Count:20
Formal Charge:0
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 Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:58
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