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13916-99-9 | 4-Fluoro-1-naphthonitrile
CAS No: 13916-99-9 Catalog No: AG003E93 MDL No:MFCD00236656
Product Description
Catalog Number:
AG003E93
Chemical Name:
4-Fluoro-1-naphthonitrile
CAS Number:
13916-99-9
Molecular Formula:
C11H6FN
Molecular Weight:
171.1704
MDL Number:
MFCD00236656
IUPAC Name:
4-fluoronaphthalene-1-carbonitrile
InChI:
InChI=1S/C11H6FN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H
InChI Key:
XQSGYYNFKIQWAC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.174g/mol
Monoisotopic Mass:
171.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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