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Home > Fluorides > 125568-71-0
125568-71-0 | Benzoic acid, 2,4-difluoro-5-nitro-, methyl ester
CAS No: 125568-71-0 Catalog No: AG000NWW MDL No:MFCD07779369
Product Description
Catalog Number:
AG000NWW
Chemical Name:
Benzoic acid, 2,4-difluoro-5-nitro-, methyl ester
CAS Number:
125568-71-0
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
MDL Number:
MFCD07779369
IUPAC Name:
methyl 2,4-difluoro-5-nitrobenzoate
InChI:
InChI=1S/C8H5F2NO4/c1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9/h2-3H,1H3
InChI Key:
KLMBOVOUTOBMLS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(cc1F)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:
1.8
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