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Home > Fluorides > 197520-71-1
197520-71-1 | Benzoic acid, 2,3,4-trifluoro-5-nitro-
CAS No: 197520-71-1 Catalog No: AG002AVN MDL No:MFCD09753762
Product Description
Catalog Number:
AG002AVN
Chemical Name:
Benzoic acid, 2,3,4-trifluoro-5-nitro-
CAS Number:
197520-71-1
Molecular Formula:
C7H2F3NO4
Molecular Weight:
221.0903
MDL Number:
MFCD09753762
IUPAC Name:
2,3,4-trifluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H2F3NO4/c8-4-2(7(12)13)1-3(11(14)15)5(9)6(4)10/h1H,(H,12,13)
InChI Key:
BCMIOBTWFPSPJJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1F)F)F
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.091g/mol
Monoisotopic Mass:
220.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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