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Home Nitriles 3-Fluorobenzonitrile

3-Fluorobenzonitrile

CAS No.:
403-54-3
Catalog Number:
AG003JH8
Molecular Formula:
C7H4FN
Molecular Weight:
121.1118
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$18
- +
100g
98%
In Stock USA
United States
$60
- +
500g
98%(GC)
In Stock USA
United States
$297
- +
Product Description
Catalog Number:
AG003JH8
Chemical Name:
3-Fluorobenzonitrile
CAS Number:
403-54-3
Molecular Formula:
C7H4FN
Molecular Weight:
121.1118
MDL Number:
MFCD00001797
IUPAC Name:
3-fluorobenzonitrile
InChI:
InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H
InChI Key:
JZTPKAROPNTQQV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)F
EC Number:
206-963-5
NSC Number:
88310
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.033g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.114g/mol
Monoisotopic Mass:
121.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthesis and antitumor activity of novel pyrimidinyl pyrazole derivatives. III. Synthesis and antitumor activity of 3-phenylpiperazinyl-1-trans-propenes. Chemical & pharmaceutical bulletin 20050201
Neutralization of methyl cation via chemical reactions in low-energy ion-surface collisions with fluorocarbon and hydrocarbon self-assembled monolayer films. Journal of the American Society for Mass Spectrometry 20021001
Properties