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Home > Nitro Compounds > 859826-64-5
859826-64-5 | 1-(4,4-dimethyl-7-nitro-3,4-dihydroquinolin-1(2H)-yl)ethanone
CAS No: 859826-64-5 Catalog No: AG00H3CM MDL No:
Product Description
Catalog Number:
AG00H3CM
Chemical Name:
1-(4,4-dimethyl-7-nitro-3,4-dihydroquinolin-1(2H)-yl)ethanone
CAS Number:
859826-64-5
IUPAC Name:
1-(4,4-dimethyl-7-nitro-2,3-dihydroquinolin-1-yl)ethanone
InChI:
InChI=1S/C13H16N2O3/c1-9(16)14-7-6-13(2,3)11-5-4-10(15(17)18)8-12(11)14/h4-5,8H,6-7H2,1-3H3
InChI Key:
OOAWMOVJJXBCQK-UHFFFAOYSA-N
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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