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1227489-80-6 | Ethanone, 2-chloro-1-[3-nitro-5-(trifluoromethyl)phenyl]-
CAS No: 1227489-80-6 Catalog No: AG000J8Y MDL No:
Product Description
Catalog Number:
AG000J8Y
Chemical Name:
Ethanone, 2-chloro-1-[3-nitro-5-(trifluoromethyl)phenyl]-
CAS Number:
1227489-80-6
Molecular Formula:
C9H5ClF3NO3
Molecular Weight:
267.5891
IUPAC Name:
2-chloro-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H5ClF3NO3/c10-4-8(15)5-1-6(9(11,12)13)3-7(2-5)14(16)17/h1-3H,4H2
InChI Key:
SBFRVCSZUFDQPW-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.991g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.588g/mol
Monoisotopic Mass:
266.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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