Home Nitros methyl 4,5-difluoro-2-nitrobenzoate

methyl 4,5-difluoro-2-nitrobenzoate

CAS No.:
1015433-96-1
Catalog Number:
AG0004QT
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>97%
In Stock USA
United States
$214
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Product Description
Catalog Number:
AG0004QT
Chemical Name:
methyl 4,5-difluoro-2-nitrobenzoate
CAS Number:
1015433-96-1
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
MDL Number:
MFCD11042825
IUPAC Name:
methyl 4,5-difluoro-2-nitrobenzoate
InChI:
InChI=1S/C8H5F2NO4/c1-15-8(12)4-2-5(9)6(10)3-7(4)11(13)14/h2-3H,1H3
InChI Key:
JHWZADUIXGMAKM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1[N+](=O)[O-])F
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.019g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.128g/mol
Monoisotopic Mass:
217.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties