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104222-34-6 | 5-CHLORO-4-FLUORO-2-NITROANILINE
CAS No: 104222-34-6 Catalog No: AG003MO6 MDL No:MFCD00052698
Product Description
Catalog Number:
AG003MO6
Chemical Name:
5-CHLORO-4-FLUORO-2-NITROANILINE
CAS Number:
104222-34-6
Molecular Formula:
C6H4ClFN2O2
Molecular Weight:
190.5596
MDL Number:
MFCD00052698
IUPAC Name:
5-chloro-4-fluoro-2-nitroaniline
InChI:
InChI=1S/C6H4ClFN2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
InChI Key:
VRJKEIWZSOHDOH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c(cc1N)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:
189.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.558g/mol
Monoisotopic Mass:
189.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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