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27461-33-2 | N-(Isoquinolin-5-yl);acetamide
CAS No: 27461-33-2 Catalog No: AG003SEO MDL No:MFCD05981994
Product Description
Catalog Number:
AG003SEO
Chemical Name:
N-(Isoquinolin-5-yl);acetamide
CAS Number:
27461-33-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD05981994
IUPAC Name:
N-isoquinolin-5-ylacetamide
InChI:
InChI=1S/C11H10N2O/c1-8(14)13-11-4-2-3-9-7-12-6-5-10(9)11/h2-7H,1H3,(H,13,14)
InChI Key:
FZICVXWYDXOFAW-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc2c1ccnc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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