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Home > Fluorides > 122033-74-3
122033-74-3 | Benzoic acid, 4-azido-2,3,5-trifluoro-
CAS No: 122033-74-3 Catalog No: AG0016NX MDL No:
Product Description
Catalog Number:
AG0016NX
Chemical Name:
Benzoic acid, 4-azido-2,3,5-trifluoro-
CAS Number:
122033-74-3
Molecular Formula:
C7H2F3N3O2
Molecular Weight:
217.1049
IUPAC Name:
4-azido-2,3,5-trifluorobenzoic acid
InChI:
InChI=1S/C7H2F3N3O2/c8-3-1-2(7(14)15)4(9)5(10)6(3)12-13-11/h1H,(H,14,15)
InChI Key:
OYSGCKJMMUDAJS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(F)cc(c(c1F)F)C(=O)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.107g/mol
Monoisotopic Mass:
217.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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