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1417640-16-4 | 1(2H)-Isoquinolinone, 7-(4-pyridinyl)-
CAS No: 1417640-16-4 Catalog No: AG001H0A MDL No:
Product Description
Catalog Number:
AG001H0A
Chemical Name:
1(2H)-Isoquinolinone, 7-(4-pyridinyl)-
CAS Number:
1417640-16-4
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
IUPAC Name:
7-pyridin-4-yl-2H-isoquinolin-1-one
InChI:
InChI=1S/C14H10N2O/c17-14-13-9-12(10-3-6-15-7-4-10)2-1-11(13)5-8-16-14/h1-9H,(H,16,17)
InChI Key:
RFLWKIUUHREFSC-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1cc(cc2)c1ccncc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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