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Home > Nitro Compounds > 19007-73-9
19007-73-9 | Isoquinoline, 3,4-dihydro-1-(2-nitrophenyl)-
CAS No: 19007-73-9 Catalog No: AG002EB1 MDL No:
Product Description
Catalog Number:
AG002EB1
Chemical Name:
Isoquinoline, 3,4-dihydro-1-(2-nitrophenyl)-
CAS Number:
19007-73-9
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
1-(2-nitrophenyl)-3,4-dihydroisoquinoline
InChI:
InChI=1S/C15H12N2O2/c18-17(19)14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-16-15/h1-8H,9-10H2
InChI Key:
GLMHXBPGCALECC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C1=NCCc2c1cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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