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Home Nitros 2-Chloro-5-fluoro-4-nitro-benzoic acid methyl ester

2-Chloro-5-fluoro-4-nitro-benzoic acid methyl ester

CAS No.:
1897500-78-5
Catalog Number:
AG00I2SL
Molecular Formula:
C8H5ClFNO4
Molecular Weight:
233.5810
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$375
- +
5g
95%
In Stock USA
United States
$1375
- +
Product Description
Catalog Number:
AG00I2SL
Chemical Name:
2-Chloro-5-fluoro-4-nitro-benzoic acid methyl ester
CAS Number:
1897500-78-5
Molecular Formula:
C8H5ClFNO4
Molecular Weight:
233.5810
MDL Number:
MFCD28348703
IUPAC Name:
methyl 2-chloro-5-fluoro-4-nitrobenzoate
InChI:
InChI=1S/C8H5ClFNO4/c1-15-8(12)4-2-6(10)7(11(13)14)3-5(4)9/h2-3H,1H3
InChI Key:
GTHCSQMSHAUBMM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1Cl)[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:
232.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.579g/mol
Monoisotopic Mass:
232.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties