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Home > Fluorides > 122590-75-4
122590-75-4 | Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, methyl ester
CAS No: 122590-75-4 Catalog No: AG0017I4 MDL No:
Product Description
Catalog Number:
AG0017I4
Chemical Name:
Benzoic acid, 4-azido-2,3,5,6-tetrafluoro-, methyl ester
CAS Number:
122590-75-4
Molecular Formula:
C8H3F4N3O2
Molecular Weight:
249.1219
IUPAC Name:
methyl 4-azido-2,3,5,6-tetrafluorobenzoate
InChI:
InChI=1S/C8H3F4N3O2/c1-17-8(16)2-3(9)5(11)7(14-15-13)6(12)4(2)10/h1H3
InChI Key:
CGSQBDQXCKRZQT-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(F)c(F)c(c(c1F)F)C(=O)OC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.125g/mol
Monoisotopic Mass:
249.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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