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Home > Fluorides > 1779124-46-7
1779124-46-7 | 2-Fluoro-5-methyl-3-nitrobenzonitrile
CAS No: 1779124-46-7 Catalog No: AG01FD8F MDL No:MFCD26958707
Product Description
Catalog Number:
AG01FD8F
Chemical Name:
2-Fluoro-5-methyl-3-nitrobenzonitrile
CAS Number:
1779124-46-7
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD26958707
IUPAC Name:
2-fluoro-5-methyl-3-nitrobenzonitrile
InChI:
InChI=1S/C8H5FN2O2/c1-5-2-6(4-10)8(9)7(3-5)11(12)13/h2-3H,1H3
InChI Key:
AXVAMPKVJMGFPC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1F)[N+](=O)[O-]
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
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