Home Halogens Methyl 3-bromo-5-fluoro-4-nitrobenzoate

Methyl 3-bromo-5-fluoro-4-nitrobenzoate

CAS No.:
1123171-93-6
Catalog Number:
AG008Z2K
Molecular Formula:
C8H5BrFNO4
Molecular Weight:
278.0320
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$181
- +
1g
95%
1 week
United States
$395
- +
Product Description
Catalog Number:
AG008Z2K
Chemical Name:
Methyl 3-bromo-5-fluoro-4-nitrobenzoate
CAS Number:
1123171-93-6
Molecular Formula:
C8H5BrFNO4
Molecular Weight:
278.0320
MDL Number:
MFCD14635859
IUPAC Name:
methyl 3-bromo-5-fluoro-4-nitrobenzoate
InChI:
InChI=1S/C8H5BrFNO4/c1-15-8(12)4-2-5(9)7(11(13)14)6(10)3-4/h2-3H,1H3
InChI Key:
VTKKLEVLDPUKPD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)Br)[N+](=O)[O-]
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.939g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.033g/mol
Monoisotopic Mass:
276.939g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties