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Home> Hot Product Listed C   > chloroacetyl nitrate

chloroacetyl nitrate

Iupac Name:nitro 2-chloroacetate
CAS No.:107616-70-6
Molecular Weight:139.4946
Molecular Formula:C2H2ClNO4 (Products with the same molecular formula)
MOL File:107616-70-6.mol
Names and Identifiers
Synonyms

chloroacetyl nitrateAC1L4DRK107616-70-6Acetic acid, chloro-, anhydride with nitric acidAKOS006387101Nitro 2-chloroacetate

Inchi
InChI=1/C2H2ClNO4/c3-1-2(5)8-4(6)7/h1H2
Canonical Smiles
C(C(=O)O[N+](=O)[O-])Cl
Properties
Density
1.563g/cm3
Boiling Point
213.4°C at 760 mmHg
Vapour
0.164mmHg at 25°C
Refractive Index
1.449
Flash Point
82.9°C
Computational chemical data

Molecular Weight:139.49458 [g/mol]
Molecular Formula:C2H2ClNO4
XLogP3-AA:0.9
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:138.967235
MonoIsotopic Mass:138.967235
Topological Polar Surface Area:72.1
Heavy Atom Count:8
Formal Charge:0
Complexity:107
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
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:22