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Home > Nitro Compounds > 731764-46-8
731764-46-8 | Isoquinoline, 1-ethyl-3,4-dihydro-7-nitro- (9CI)
CAS No: 731764-46-8 Catalog No: AG00FTD9 MDL No:
Product Description
Catalog Number:
AG00FTD9
Chemical Name:
Isoquinoline, 1-ethyl-3,4-dihydro-7-nitro- (9CI)
CAS Number:
731764-46-8
IUPAC Name:
1-ethyl-7-nitro-3,4-dihydroisoquinoline
InChI:
InChI=1S/C11H12N2O2/c1-2-11-10-7-9(13(14)15)4-3-8(10)5-6-12-11/h3-4,7H,2,5-6H2,1H3
InChI Key:
ADOXHCHPMZCZQT-UHFFFAOYSA-N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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