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Home > Fluorides > 1243164-13-7
1243164-13-7 | Benzoic acid, 4-fluoro-2-(methoxymethyl)-5-nitro-, methyl ester
CAS No: 1243164-13-7 Catalog No: AG000LTF MDL No:
Product Description
Catalog Number:
AG000LTF
Chemical Name:
Benzoic acid, 4-fluoro-2-(methoxymethyl)-5-nitro-, methyl ester
CAS Number:
1243164-13-7
Molecular Formula:
C10H10FNO5
Molecular Weight:
243.1885
IUPAC Name:
methyl 4-fluoro-2-(methoxymethyl)-5-nitrobenzoate
InChI:
InChI=1S/C10H10FNO5/c1-16-5-6-3-8(11)9(12(14)15)4-7(6)10(13)17-2/h3-4H,5H2,1-2H3
InChI Key:
YTJCKPDAVNATIW-UHFFFAOYSA-N
SMILES:
COCc1cc(F)c(cc1C(=O)OC)[N+](=O)[O-]
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.19g/mol
Monoisotopic Mass:
243.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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