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Home > Nitro Compounds > 1048971-05-6
1048971-05-6 | N-Benzyl-2-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
CAS No: 1048971-05-6 Catalog No: AG01F85C MDL No:
Product Description
Catalog Number:
AG01F85C
Chemical Name:
N-Benzyl-2-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
CAS Number:
1048971-05-6
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
IUPAC Name:
1-benzyl-2-methyl-6-nitro-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C17H18N2O2/c1-13-7-8-15-11-16(19(20)21)9-10-17(15)18(13)12-14-5-3-2-4-6-14/h2-6,9-11,13H,7-8,12H2,1H3
InChI Key:
IACLOMHQZNQIIJ-UHFFFAOYSA-N
SMILES:
CC1CCc2c(N1Cc1ccccc1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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