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Home > Nitro Compounds > 63937-39-3
63937-39-3 | 5,6,7,8-Tetrahydro-6-methyl-5-(4-nitrophenethyl)-1,3-dioxolo[4,5-g]isoquinoline
CAS No: 63937-39-3 Catalog No: AG00F6H0 MDL No:
Product Description
Catalog Number:
AG00F6H0
Chemical Name:
5,6,7,8-Tetrahydro-6-methyl-5-(4-nitrophenethyl)-1,3-dioxolo[4,5-g]isoquinoline
CAS Number:
63937-39-3
IUPAC Name:
6-methyl-5-[2-(4-nitrophenyl)ethyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C19H20N2O4/c1-20-9-8-14-10-18-19(25-12-24-18)11-16(14)17(20)7-4-13-2-5-15(6-3-13)21(22)23/h2-3,5-6,10-11,17H,4,7-9,12H2,1H3
InChI Key:
MZFGOOZAYYXRBX-UHFFFAOYSA-N
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.379g/mol
Monoisotopic Mass:
340.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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