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52548-63-7 | 5-Fluoro-2-iodobenzoic acid
CAS No: 52548-63-7 Catalog No: AG003MQR MDL No:MFCD00837316
Product Description
Catalog Number:
AG003MQR
Chemical Name:
5-Fluoro-2-iodobenzoic acid
CAS Number:
52548-63-7
Molecular Formula:
C7H4FIO2
Molecular Weight:
266.0083
MDL Number:
MFCD00837316
IUPAC Name:
5-fluoro-2-iodobenzoic acid
InChI:
InChI=1S/C7H4FIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key:
XPFMQYOPTHMSJJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)I
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.924g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.01g/mol
Monoisotopic Mass:
265.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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