200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 540513-92-6
540513-92-6 | 5-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-iodobenzoic acid
CAS No: 540513-92-6 Catalog No: AG00JA6J MDL No:MFCD03196901
Product Description
Catalog Number:
AG00JA6J
Chemical Name:
5-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-2-iodobenzoic acid
CAS Number:
540513-92-6
Molecular Formula:
C16H10INO4
Molecular Weight:
407.1594
MDL Number:
MFCD03196901
IUPAC Name:
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-iodobenzoic acid
InChI:
InChI=1S/C16H10INO4/c17-13-6-5-9(7-12(13)16(21)22)8-18-14(19)10-3-1-2-4-11(10)15(18)20/h1-7H,8H2,(H,21,22)
InChI Key:
ACTDNBXJSIGMGN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1I)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.965g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.163g/mol
Monoisotopic Mass:
406.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.