Home Nitriles 3-Fluoro-4-methylbenzonitrile

3-Fluoro-4-methylbenzonitrile

CAS No.:
170572-49-3
Catalog Number:
AG0033PA
Molecular Formula:
C8H6FN
Molecular Weight:
135.1383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$31
- +
100g
98%
In Stock USA
United States
$106
- +
500g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG0033PA
Chemical Name:
3-Fluoro-4-methylbenzonitrile
CAS Number:
170572-49-3
Molecular Formula:
C8H6FN
Molecular Weight:
135.1383
MDL Number:
MFCD00153174
IUPAC Name:
3-fluoro-4-methylbenzonitrile
InChI:
InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChI Key:
KUQQONVKIURIQU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)C
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  
Literature
Title Journal
Synthesis and in vitro antifungal activities of novel triazole antifungal agent CS-758. Chemical & pharmaceutical bulletin 20011201
Properties