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Home > Nitro Compounds > 13226-13-6
13226-13-6 | Isoquinoline, 1-(4-nitroso-5-phenyl-1H-pyrrol-2-yl)-
CAS No: 13226-13-6 Catalog No: AG0010GS MDL No:
Product Description
Catalog Number:
AG0010GS
Chemical Name:
Isoquinoline, 1-(4-nitroso-5-phenyl-1H-pyrrol-2-yl)-
CAS Number:
13226-13-6
Molecular Formula:
C19H13N3O
Molecular Weight:
299.3260
IUPAC Name:
1-(4-nitroso-5-phenyl-1H-pyrrol-2-yl)isoquinoline
InChI:
InChI=1S/C19H13N3O/c23-22-17-12-16(21-18(17)14-7-2-1-3-8-14)19-15-9-5-4-6-13(15)10-11-20-19/h1-12,21H
InChI Key:
BDXUZIQIBQWJJH-UHFFFAOYSA-N
SMILES:
O=Nc1cc([nH]c1c1ccccc1)c1nccc2c1cccc2
NSC Number:
116655
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.333g/mol
Monoisotopic Mass:
299.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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