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105275-08-9 | Benzamide, N-(5,6,7,8-tetrahydro-5,8-methanoisoquinolin-3-yl)-
CAS No: 105275-08-9 Catalog No: AG007F58 MDL No:
Product Description
Catalog Number:
AG007F58
Chemical Name:
Benzamide, N-(5,6,7,8-tetrahydro-5,8-methanoisoquinolin-3-yl)-
CAS Number:
105275-08-9
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
N-(4-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-5-yl)benzamide
InChI:
InChI=1S/C17H16N2O/c20-17(11-4-2-1-3-5-11)19-16-9-14-12-6-7-13(8-12)15(14)10-18-16/h1-5,9-10,12-13H,6-8H2,(H,18,19,20)
InChI Key:
MHVOXYVUYYQFMZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ncc2c(c1)C1CCC2C1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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