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Home > Nitro Compounds > 174648-94-3
174648-94-3 | Ethanone, 1-(3,4-dihydro-8-nitro-2(1H)-isoquinolinyl)-
CAS No: 174648-94-3 Catalog No: AG001ZTW MDL No:
Product Description
Catalog Number:
AG001ZTW
Chemical Name:
Ethanone, 1-(3,4-dihydro-8-nitro-2(1H)-isoquinolinyl)-
CAS Number:
174648-94-3
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
1-(8-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
InChI:
InChI=1S/C11H12N2O3/c1-8(14)12-6-5-9-3-2-4-11(13(15)16)10(9)7-12/h2-4H,5-7H2,1H3
InChI Key:
UAZOMFBCFGLWAL-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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