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80141-97-5 | 5-Fluoro-2-methylphenylacetonitrile
CAS No: 80141-97-5 Catalog No: AG0054MI MDL No:MFCD01631529
Product Description
Catalog Number:
AG0054MI
Chemical Name:
5-Fluoro-2-methylphenylacetonitrile
CAS Number:
80141-97-5
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
MDL Number:
MFCD01631529
IUPAC Name:
2-(5-fluoro-2-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H8FN/c1-7-2-3-9(10)6-8(7)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
COYCHCYSJJZVQR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CC#N)F
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.168g/mol
Monoisotopic Mass:
149.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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