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Home > Fluorides > 159517-51-8
159517-51-8 | Benzeneacetonitrile, 4-fluoro-α-methyl-, (S)- (9CI)
CAS No: 159517-51-8 Catalog No: AG001R5B MDL No:
Product Description
Catalog Number:
AG001R5B
Chemical Name:
Benzeneacetonitrile, 4-fluoro-α-methyl-, (S)- (9CI)
CAS Number:
159517-51-8
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
IUPAC Name:
(2S)-2-(4-fluorophenyl)propanenitrile
InChI:
InChI=1S/C9H8FN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m1/s1
InChI Key:
JPTHCYFZRSLQMW-SSDOTTSWSA-N
SMILES:
C[C@@H](c1ccc(cc1)F)C#N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2.2
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