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887356-31-2 | 4-(2-iodobenzamido)benzoic acid
CAS No: 887356-31-2 Catalog No: AG019V7V MDL No:MFCD02271076
Product Description
Catalog Number:
AG019V7V
Chemical Name:
4-(2-iodobenzamido)benzoic acid
CAS Number:
887356-31-2
Molecular Formula:
C14H10INO3
Molecular Weight:
367.1386
MDL Number:
MFCD02271076
IUPAC Name:
4-[(2-iodobenzoyl)amino]benzoic acid
InChI:
InChI=1S/C14H10INO3/c15-12-4-2-1-3-11(12)13(17)16-10-7-5-9(6-8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChI Key:
GLUDNBZUMDOZQI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.971g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.142g/mol
Monoisotopic Mass:
366.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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