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66922-61-0 | 2-(6-fluoronaphthalen-2-yl)acetonitrile
CAS No: 66922-61-0 Catalog No: AG01EWUI MDL No:
Product Description
Catalog Number:
AG01EWUI
Chemical Name:
2-(6-fluoronaphthalen-2-yl)acetonitrile
CAS Number:
66922-61-0
Molecular Formula:
C12H8FN
Molecular Weight:
185.1970
IUPAC Name:
2-(6-fluoronaphthalen-2-yl)acetonitrile
InChI:
InChI=1S/C12H8FN/c13-12-4-3-10-7-9(5-6-14)1-2-11(10)8-12/h1-4,7-8H,5H2
InChI Key:
IHCSARCBLKAYDN-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1)ccc(c2)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.201g/mol
Monoisotopic Mass:
185.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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