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Home > Fluorides > 363598-23-6
363598-23-6 | 3-Iodo-2,4,6-trifluorobenzoic acid
CAS No: 363598-23-6 Catalog No: AG01EVPJ MDL No:
Product Description
Catalog Number:
AG01EVPJ
Chemical Name:
3-Iodo-2,4,6-trifluorobenzoic acid
CAS Number:
363598-23-6
Molecular Formula:
C7H2F3IO2
Molecular Weight:
301.9893
IUPAC Name:
2,4,6-trifluoro-3-iodobenzoic acid
InChI:
InChI=1S/C7H2F3IO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,(H,12,13)
InChI Key:
JALFCFDOJRNUHE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cc(c(c1F)I)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.905g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.991g/mol
Monoisotopic Mass:
301.905g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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