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Home Halogens 2-Methoxy-4-methyl-5-nitrobenzotrifluoride

2-Methoxy-4-methyl-5-nitrobenzotrifluoride

CAS No.:
933673-45-1
Catalog Number:
AG00GUOK
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$171
- +
1g
95%
1 week
United States
$371
- +
5g
95%
1 week
United States
$1038
- +
Product Description
Catalog Number:
AG00GUOK
Chemical Name:
2-Methoxy-4-methyl-5-nitrobenzotrifluoride
CAS Number:
933673-45-1
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
MDL Number:
MFCD04972908
IUPAC Name:
1-methoxy-5-methyl-4-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8F3NO3/c1-5-3-8(16-2)6(9(10,11)12)4-7(5)13(14)15/h3-4H,1-2H3
InChI Key:
PAMCCYLUISPVGC-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.162g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties