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60040-91-7 | N-(4-Iodo-phenyl)-phthalaMic acid
CAS No: 60040-91-7 Catalog No: AG00EJ57 MDL No:MFCD00029958
Product Description
Catalog Number:
AG00EJ57
Chemical Name:
N-(4-Iodo-phenyl)-phthalaMic acid
CAS Number:
60040-91-7
Molecular Formula:
C14H10INO3
Molecular Weight:
367.1386
MDL Number:
MFCD00029958
IUPAC Name:
2-[(4-iodophenyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C14H10INO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChI Key:
ICPHPDRHMVDFLQ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)NC(=O)c1ccccc1C(=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:
3.3
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