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83190-03-8 | Benzene, 2-chloro-4-nitro-1-(2,2,2-trifluoroethoxy)-
CAS No: 83190-03-8 Catalog No: AG004VOI MDL No:
Product Description
Catalog Number:
AG004VOI
Chemical Name:
Benzene, 2-chloro-4-nitro-1-(2,2,2-trifluoroethoxy)-
CAS Number:
83190-03-8
Molecular Formula:
C8H5ClF3NO3
Molecular Weight:
255.5784
IUPAC Name:
2-chloro-4-nitro-1-(2,2,2-trifluoroethoxy)benzene
InChI:
InChI=1S/C8H5ClF3NO3/c9-6-3-5(13(14)15)1-2-7(6)16-4-8(10,11)12/h1-3H,4H2
InChI Key:
XWQLZSUQJGNSAM-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCC(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.577g/mol
Monoisotopic Mass:
254.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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