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14659-61-1 | Benzonitrile, 4-fluoro-2,6-dimethyl-
CAS No: 14659-61-1 Catalog No: AG001E6A MDL No:MFCD04972839
Product Description
Catalog Number:
AG001E6A
Chemical Name:
Benzonitrile, 4-fluoro-2,6-dimethyl-
CAS Number:
14659-61-1
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
MDL Number:
MFCD04972839
IUPAC Name:
4-fluoro-2,6-dimethylbenzonitrile
InChI:
InChI=1S/C9H8FN/c1-6-3-8(10)4-7(2)9(6)5-11/h3-4H,1-2H3
InChI Key:
BPLRYXJPQRMLEJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(cc1C)F
Properties
Complexity:
169
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:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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