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Home > Fluorides > 119396-88-2
119396-88-2 | Benzonitrile, 2-fluoro-4,5-dimethoxy-
CAS No: 119396-88-2 Catalog No: AG000IOK MDL No:MFCD00143236
Product Description
Catalog Number:
AG000IOK
Chemical Name:
Benzonitrile, 2-fluoro-4,5-dimethoxy-
CAS Number:
119396-88-2
Molecular Formula:
C9H8FNO2
Molecular Weight:
181.1637
MDL Number:
MFCD00143236
IUPAC Name:
2-fluoro-4,5-dimethoxybenzonitrile
InChI:
InChI=1S/C9H8FNO2/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4H,1-2H3
InChI Key:
QZKGCLSVCWWARO-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(cc1OC)F
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.166g/mol
Monoisotopic Mass:
181.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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