200,000+ products from a single source!
sales@angenechem.com
575430-40-9 | Pyrazolo[3,4-b]azepine, 3-(2-benzofuranyl)-1,4,5,6,7,8-hexahydro-1-(4-iodophenyl)- (9CI)
CAS No: 575430-40-9 Catalog No: AG00F2OL MDL No:
Product Description
Catalog Number:
AG00F2OL
Chemical Name:
Pyrazolo[3,4-b]azepine, 3-(2-benzofuranyl)-1,4,5,6,7,8-hexahydro-1-(4-iodophenyl)- (9CI)
CAS Number:
575430-40-9
IUPAC Name:
3-(1-benzofuran-2-yl)-1-(4-iodophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
InChI:
InChI=1S/C21H18IN3O/c22-15-8-10-16(11-9-15)25-21-17(6-3-4-12-23-21)20(24-25)19-13-14-5-1-2-7-18(14)26-19/h1-2,5,7-11,13,23H,3-4,6,12H2
InChI Key:
KWPYVHBPNABSSB-UHFFFAOYSA-N
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.049g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.299g/mol
Monoisotopic Mass:
455.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.