Home Halogens 4-chloro-3-fluoro-5-nitrobenzonitrile

4-chloro-3-fluoro-5-nitrobenzonitrile

CAS No.:
1380921-45-8
Catalog Number:
AG01BVLC
Molecular Formula:
C7H2ClFN2O2
Molecular Weight:
200.5544
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Product Description
Catalog Number:
AG01BVLC
Chemical Name:
4-chloro-3-fluoro-5-nitrobenzonitrile
CAS Number:
1380921-45-8
Molecular Formula:
C7H2ClFN2O2
Molecular Weight:
200.5544
MDL Number:
MFCD23161612
IUPAC Name:
4-chloro-3-fluoro-5-nitrobenzonitrile
InChI:
InChI=1S/C7H2ClFN2O2/c8-7-5(9)1-4(3-10)2-6(7)11(12)13/h1-2H
InChI Key:
KKGKVPMYJVOIRR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)[N+](=O)[O-])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