Home Halogens 3-Methoxy-5-nitrobenzotrifluoride

3-Methoxy-5-nitrobenzotrifluoride

CAS No.:
328-79-0
Catalog Number:
AG00BXE0
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$37
- +
25g
98%
In Stock USA
United States
$138
- +
100g
98%
In Stock USA
United States
$413
- +
500g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00BXE0
Chemical Name:
3-Methoxy-5-nitrobenzotrifluoride
CAS Number:
328-79-0
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD00010446
IUPAC Name:
1-methoxy-3-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3NO3/c1-15-7-3-5(8(9,10)11)2-6(4-7)12(13)14/h2-4H,1H3
InChI Key:
NCPVPJVRLLHBEL-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties