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2105-59-1 | Benzene, 1,5-dichloro-2-fluoro-4-nitro-
CAS No: 2105-59-1 Catalog No: AG002KTM MDL No:MFCD00115003
Product Description
Catalog Number:
AG002KTM
Chemical Name:
Benzene, 1,5-dichloro-2-fluoro-4-nitro-
CAS Number:
2105-59-1
Molecular Formula:
C6H2Cl2FNO2
Molecular Weight:
209.9900
MDL Number:
MFCD00115003
IUPAC Name:
1,5-dichloro-2-fluoro-4-nitrobenzene
InChI:
InChI=1S/C6H2Cl2FNO2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H
InChI Key:
CIZHSFBFELYEGN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c(cc1Cl)Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.985g/mol
Monoisotopic Mass:
208.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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