Home Nitriles 3-Methoxy-2,4,5-trifluorobenzonitrile

3-Methoxy-2,4,5-trifluorobenzonitrile

CAS No.:
112811-63-9
Catalog Number:
AG0078V7
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
98%
In Stock USA
United States
$220
- +
5g
98%
In Stock USA
United States
$883
- +
Product Description
Catalog Number:
AG0078V7
Chemical Name:
3-Methoxy-2,4,5-trifluorobenzonitrile
CAS Number:
112811-63-9
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD04115323
IUPAC Name:
2,4,5-trifluoro-3-methoxybenzonitrile
InChI:
InChI=1S/C8H4F3NO/c1-13-8-6(10)4(3-12)2-5(9)7(8)11/h2H,1H3
InChI Key:
JFKKSZAQWUIHBF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1F)OC)F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties