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919290-69-0 | Benz[h]isoquinoline-6-carbonitrile, 1,2-dihydro-1-oxo-9-(2-thienyl)-
CAS No: 919290-69-0 Catalog No: AG0067D1 MDL No:
Product Description
Catalog Number:
AG0067D1
Chemical Name:
Benz[h]isoquinoline-6-carbonitrile, 1,2-dihydro-1-oxo-9-(2-thienyl)-
CAS Number:
919290-69-0
Molecular Formula:
C18H10N2OS
Molecular Weight:
302.3498
IUPAC Name:
1-oxo-9-thiophen-2-yl-2H-benzo[h]isoquinoline-6-carbonitrile
InChI:
InChI=1S/C18H10N2OS/c19-10-13-8-12-5-6-20-18(21)17(12)15-9-11(3-4-14(13)15)16-2-1-7-22-16/h1-9H,(H,20,21)
InChI Key:
PQZVCGOEKKBLTB-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cc[nH]c(=O)c2c2c1ccc(c2)c1cccs1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.351g/mol
Monoisotopic Mass:
302.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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