Home Halogens methyl 3-chloro-2-fluoro-5-nitrobenzoate

methyl 3-chloro-2-fluoro-5-nitrobenzoate

CAS No.:
1509132-39-1
Catalog Number:
AG01BD9D
Molecular Formula:
C8H5ClFNO4
Molecular Weight:
233.5810
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Product Description
Catalog Number:
AG01BD9D
Chemical Name:
methyl 3-chloro-2-fluoro-5-nitrobenzoate
CAS Number:
1509132-39-1
Molecular Formula:
C8H5ClFNO4
Molecular Weight:
233.5810
MDL Number:
MFCD24077151
IUPAC Name:
methyl 3-chloro-2-fluoro-5-nitrobenzoate
InChI:
InChI=1S/C8H5ClFNO4/c1-15-8(12)5-2-4(11(13)14)3-6(9)7(5)10/h2-3H,1H3
InChI Key:
AFGXSZFDAXFRAW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1F)Cl)[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