Home Nitriles 4-Chloro-2-fluoro-5-nitro-benzonitrile

4-Chloro-2-fluoro-5-nitro-benzonitrile

CAS No.:
1242269-80-2
Catalog Number:
AG009W7T
Molecular Formula:
C7H2ClFN2O2
Molecular Weight:
200.5544
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Product Description
Catalog Number:
AG009W7T
Chemical Name:
4-Chloro-2-fluoro-5-nitro-benzonitrile
CAS Number:
1242269-80-2
Molecular Formula:
C7H2ClFN2O2
Molecular Weight:
200.5544
MDL Number:
MFCD20486212
IUPAC Name:
4-chloro-2-fluoro-5-nitrobenzonitrile
InChI:
InChI=1S/C7H2ClFN2O2/c8-5-2-6(9)4(3-10)1-7(5)11(12)13/h1-2H
InChI Key:
ZDHOTDZFFZOKPK-UHFFFAOYSA-N
SMILES:
N#Cc1cc([N+](=O)[O-])c(cc1F)Cl
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.979g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.553g/mol
Monoisotopic Mass:
199.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties