200,000+ products from a single source!
sales@angenechem.com
887647-04-3 | 4H-1-Benzopyran-4-one, 2-[2-(4-aminophenyl)ethenyl]-6-iodo-
CAS No: 887647-04-3 Catalog No: AG004B93 MDL No:
Product Description
Catalog Number:
AG004B93
Chemical Name:
4H-1-Benzopyran-4-one, 2-[2-(4-aminophenyl)ethenyl]-6-iodo-
CAS Number:
887647-04-3
Molecular Formula:
C17H12INO2
Molecular Weight:
389.1871
IUPAC Name:
2-[2-(4-aminophenyl)ethenyl]-6-iodochromen-4-one
InChI:
InChI=1S/C17H12INO2/c18-12-4-8-17-15(9-12)16(20)10-14(21-17)7-3-11-1-5-13(19)6-2-11/h1-10H,19H2
InChI Key:
BPBMAJAZUBZQED-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C=Cc1cc(=O)c2c(o1)ccc(c2)I
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.991g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.192g/mol
Monoisotopic Mass:
388.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.