Home Nitriles 5-fluoro-4-methyl-2-nitrobenzonitrile

5-fluoro-4-methyl-2-nitrobenzonitrile

CAS No.:
854532-00-6
Catalog Number:
AG01BEFD
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
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Product Description
Catalog Number:
AG01BEFD
Chemical Name:
5-fluoro-4-methyl-2-nitrobenzonitrile
CAS Number:
854532-00-6
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD27930033
IUPAC Name:
5-fluoro-4-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C8H5FN2O2/c1-5-2-8(11(12)13)6(4-10)3-7(5)9/h2-3H,1H3
InChI Key:
MDBVXIJKYDQOPN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1[N+](=O)[O-])C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties