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Home > Fluorides > 1137869-92-1
1137869-92-1 | Benzonitrile, 3-fluoro-5-methoxy-4-nitro-
CAS No: 1137869-92-1 Catalog No: AG0009NR MDL No:MFCD23701681
Product Description
Catalog Number:
AG0009NR
Chemical Name:
Benzonitrile, 3-fluoro-5-methoxy-4-nitro-
CAS Number:
1137869-92-1
Molecular Formula:
C8H5FN2O3
Molecular Weight:
196.1353
MDL Number:
MFCD23701681
IUPAC Name:
3-fluoro-5-methoxy-4-nitrobenzonitrile
InChI:
InChI=1S/C8H5FN2O3/c1-14-7-3-5(4-10)2-6(9)8(7)11(12)13/h2-3H,1H3
InChI Key:
RMIUUPBNJHYNJG-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1[N+](=O)[O-])F
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.137g/mol
Monoisotopic Mass:
196.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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