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94088-46-7 | 2-Fluoro-6-Methoxybenzonitrile
CAS No: 94088-46-7 Catalog No: AG003HB1 MDL No:MFCD00042291
Product Description
Catalog Number:
AG003HB1
Chemical Name:
2-Fluoro-6-Methoxybenzonitrile
CAS Number:
94088-46-7
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD00042291
IUPAC Name:
2-fluoro-6-methoxybenzonitrile
InChI:
InChI=1S/C8H6FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
InChI Key:
YPMSIWYNTPSPMV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C#N)F
EC Number:
302-047-5
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.14g/mol
Monoisotopic Mass:
151.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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