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Home > Nitro Compounds > 73903-40-9
73903-40-9 | 5-(2-nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline
CAS No: 73903-40-9 Catalog No: AG005AL7 MDL No:
Product Description
Catalog Number:
AG005AL7
Chemical Name:
5-(2-nitrobenzyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinoline
CAS Number:
73903-40-9
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
5-[(2-nitrophenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
InChI:
InChI=1S/C17H14N2O4/c20-19(21)15-4-2-1-3-12(15)7-14-13-9-17-16(22-10-23-17)8-11(13)5-6-18-14/h1-4,8-9H,5-7,10H2
InChI Key:
PISSJJSAJXXJEU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1CC1=NCCc2c1cc1OCOc1c2
NSC Number:
114926
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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