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1628604-94-3 | Benzoic acid, 4-amino-3-fluoro-5-iodo-
CAS No: 1628604-94-3 Catalog No: AG001THO MDL No:
Product Description
Catalog Number:
AG001THO
Chemical Name:
Benzoic acid, 4-amino-3-fluoro-5-iodo-
CAS Number:
1628604-94-3
Molecular Formula:
C7H5FINO2
Molecular Weight:
281.0230
IUPAC Name:
4-amino-3-fluoro-5-iodobenzoic acid
InChI:
InChI=1S/C7H5FINO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI Key:
PEEINMLAZKPVCO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)I)N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.025g/mol
Monoisotopic Mass:
280.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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