Home Halogens 4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic acid

4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic acid

CAS No.:
639009-97-5
Catalog Number:
AG003A19
Molecular Formula:
C14H10ClIN2O3
Molecular Weight:
416.5983
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003A19
Chemical Name:
4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic acid
CAS Number:
639009-97-5
Molecular Formula:
C14H10ClIN2O3
Molecular Weight:
416.5983
MDL Number:
MFCD30533895
IUPAC Name:
4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic acid
InChI:
InChI=1S/C14H10ClIN2O3/c15-8-4-5-11(13(19)20)12(6-8)18-14(21)17-10-3-1-2-9(16)7-10/h1-7H,(H,19,20)(H2,17,18,21)
InChI Key:
HDVLBTNZJJUZTI-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(Cl)ccc1C(=O)O)Nc1cccc(c1)I
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.942g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
416.599g/mol
Monoisotopic Mass:
415.942g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
2-arylureidobenzoic acids: selective noncompetitive antagonists for the homomeric kainate receptor subtype GluR5. Journal of medicinal chemistry 20031218
Properties