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Home> Hot Product Listed B   > Benzenemethanol,4-nitro-, 1-acetate

Benzenemethanol,4-nitro-, 1-acetate

Iupac Name:(4-nitrophenyl)methyl acetate
CAS No.:619-90-9
EINECS(EC#):210-618-4
Molecular Weight:195.19
Molecular Formula:C9H9 N O4 (Products with the same molecular formula)
MOL File:619-90-9.mol
Properties
Density
1.266g/cm3
Melting Point
78°C
Boiling Point
305.1°C at 760 mmHg
Refractive Index
1.545
Flash Point
141.4°C
Safety and Handling
Safety Statements
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Safety

 RTECS DP0660000

Report

Reported in EPA TSCA Inventory.

Reach Info
Precursor and Product
Computational chemical data

Molecular Weight:195.17206 [g/mol]
Molecular Formula:C9H9NO4
XLogP3:1.7
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:195.053158
MonoIsotopic Mass:195.053158
Topological Polar Surface Area:72.1
Heavy Atom Count:14
Formal Charge:0
Complexity:215
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:3
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:6

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