Home Nitros 2,6-difluoro-3-methyl-5-nitrobenzoic acid

2,6-difluoro-3-methyl-5-nitrobenzoic acid

CAS No.:
1803582-13-9
Catalog Number:
AG01BCJ7
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
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Product Description
Catalog Number:
AG01BCJ7
Chemical Name:
2,6-difluoro-3-methyl-5-nitrobenzoic acid
CAS Number:
1803582-13-9
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
MDL Number:
MFCD28954155
IUPAC Name:
2,6-difluoro-3-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H5F2NO4/c1-3-2-4(11(14)15)7(10)5(6(3)9)8(12)13/h2H,1H3,(H,12,13)
InChI Key:
IWBHXFCZDSPONS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(c(c1F)C(=O)O)F
Properties
Complexity:
280  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
217.128g/mol
Monoisotopic Mass:
217.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties