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919290-70-3 | Benz[h]isoquinoline-6-carbonitrile, 1,2-dihydro-1-oxo-9-(1H-pyrrol-2-yl)-
CAS No: 919290-70-3 Catalog No: AG006JTX MDL No:
Product Description
Catalog Number:
AG006JTX
Chemical Name:
Benz[h]isoquinoline-6-carbonitrile, 1,2-dihydro-1-oxo-9-(1H-pyrrol-2-yl)-
CAS Number:
919290-70-3
Molecular Formula:
C18H11N3O
Molecular Weight:
285.2994
IUPAC Name:
1-oxo-9-(1H-pyrrol-2-yl)-2H-benzo[h]isoquinoline-6-carbonitrile
InChI:
InChI=1S/C18H11N3O/c19-10-13-8-12-5-7-21-18(22)17(12)15-9-11(3-4-14(13)15)16-2-1-6-20-16/h1-9,20H,(H,21,22)
InChI Key:
XTPUZXUEFYWXCN-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cc[nH]c(=O)c2c2c1ccc(c2)c1ccc[nH]1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.306g/mol
Monoisotopic Mass:
285.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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