200,000+ products from a single source!
sales@angenechem.com
13072-73-6 | Hexanedioic acid, 2-[(3-amino-2,4,6-triiodophenyl)methyl]-
CAS No: 13072-73-6 Catalog No: AG000UV2 MDL No:
Product Description
Catalog Number:
AG000UV2
Chemical Name:
Hexanedioic acid, 2-[(3-amino-2,4,6-triiodophenyl)methyl]-
CAS Number:
13072-73-6
Molecular Formula:
C13H14I3NO4
Molecular Weight:
628.9680
IUPAC Name:
2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid
InChI:
InChI=1S/C13H14I3NO4/c14-8-5-9(15)12(17)11(16)7(8)4-6(13(20)21)2-1-3-10(18)19/h5-6H,1-4,17H2,(H,18,19)(H,20,21)
InChI Key:
NCIDMBOLXVEYDB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(C(=O)O)Cc1c(I)cc(c(c1I)N)I
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.806g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
628.971g/mol
Monoisotopic Mass:
628.806g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.