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Home > Nitro Compounds > 40484-66-0
40484-66-0 | 1-acetyl-7-nitro-1,2,3,4-tetrahydroquinoline
CAS No: 40484-66-0 Catalog No: AG018UGU MDL No:MFCD00496671
Product Description
Catalog Number:
AG018UGU
Chemical Name:
1-acetyl-7-nitro-1,2,3,4-tetrahydroquinoline
CAS Number:
40484-66-0
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD00496671
IUPAC Name:
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone
InChI:
InChI=1S/C11H12N2O3/c1-8(14)12-6-2-3-9-4-5-10(13(15)16)7-11(9)12/h4-5,7H,2-3,6H2,1H3
InChI Key:
NGMSPEMFJFMGQB-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCCc2c1cc(cc2)[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:
1.5
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