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Home > Fluorides > 198633-76-0
198633-76-0 | Benzonitrile, 2-fluoro-6-methyl-
CAS No: 198633-76-0 Catalog No: AG002BO3 MDL No:MFCD00068210
Product Description
Catalog Number:
AG002BO3
Chemical Name:
Benzonitrile, 2-fluoro-6-methyl-
CAS Number:
198633-76-0
Molecular Formula:
C8H6FN
Molecular Weight:
135.1383
MDL Number:
MFCD00068210
IUPAC Name:
2-fluoro-6-methylbenzonitrile
InChI:
InChI=1S/C8H6FN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
InChI Key:
UCSKOUQDVWADGZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cccc1F
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.141g/mol
Monoisotopic Mass:
135.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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