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1292836-16-8 | Ethanone, 1-(4-chloro-2-fluoro-5-nitrophenyl)-
CAS No: 1292836-16-8 Catalog No: AG000Z1D MDL No:
Product Description
Catalog Number:
AG000Z1D
Chemical Name:
Ethanone, 1-(4-chloro-2-fluoro-5-nitrophenyl)-
CAS Number:
1292836-16-8
Molecular Formula:
C8H5ClFNO3
Molecular Weight:
217.5816
IUPAC Name:
1-(4-chloro-2-fluoro-5-nitrophenyl)ethanone
InChI:
InChI=1S/C8H5ClFNO3/c1-4(12)5-2-8(11(13)14)6(9)3-7(5)10/h2-3H,1H3
InChI Key:
CGOODLQYGNBCGQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)C)c(cc1Cl)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.58g/mol
Monoisotopic Mass:
216.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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