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88773-90-4 | Benzamide, N-(2,3-dihydro-1-methyl-1H-inden-4-yl)-2-iodo-
CAS No: 88773-90-4 Catalog No: AG004B6Y MDL No:
Product Description
Catalog Number:
AG004B6Y
Chemical Name:
Benzamide, N-(2,3-dihydro-1-methyl-1H-inden-4-yl)-2-iodo-
CAS Number:
88773-90-4
Molecular Formula:
C17H16INO
Molecular Weight:
377.2195
IUPAC Name:
2-iodo-N-(1-methyl-2,3-dihydro-1H-inden-4-yl)benzamide
InChI:
InChI=1S/C17H16INO/c1-11-9-10-13-12(11)6-4-8-16(13)19-17(20)14-5-2-3-7-15(14)18/h2-8,11H,9-10H2,1H3,(H,19,20)
InChI Key:
PAKXZXXBRUHQRB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)Nc1cccc2c1CCC2C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.225g/mol
Monoisotopic Mass:
377.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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