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850565-37-6 | 4-Fluoro-3-methoxybenzeneacetonitrile
CAS No: 850565-37-6 Catalog No: AG0036EG MDL No:MFCD09038465
Product Description
Catalog Number:
AG0036EG
Chemical Name:
4-Fluoro-3-methoxybenzeneacetonitrile
CAS Number:
850565-37-6
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD09038465
IUPAC Name:
2-(4-fluoro-3-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8FNO/c1-12-9-6-7(4-5-11)2-3-8(9)10/h2-3,6H,4H2,1H3
InChI Key:
IWBUXMKSIMCUIX-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)OC)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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