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Home > Nitro Compounds > 78070-11-8
78070-11-8 | Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-4-pyridinyl)-
CAS No: 78070-11-8 Catalog No: AG0055FE MDL No:
Product Description
Catalog Number:
AG0055FE
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(3-nitro-4-pyridinyl)-
CAS Number:
78070-11-8
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
2-(3-nitropyridin-4-yl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C14H13N3O2/c18-17(19)14-9-15-7-5-13(14)16-8-6-11-3-1-2-4-12(11)10-16/h1-5,7,9H,6,8,10H2
InChI Key:
FNOZIFNFRLFZND-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnccc1N1CCc2c(C1)cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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