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Home > Nitro Compounds > 1330750-53-2
1330750-53-2 | 2-(5-nitrothiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 1330750-53-2 Catalog No: AG00IWV9 MDL No:MFCD19982804
Product Description
Catalog Number:
AG00IWV9
Chemical Name:
2-(5-nitrothiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1330750-53-2
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
MDL Number:
MFCD19982804
IUPAC Name:
2-(5-nitrothiophen-3-yl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H12N2O2S/c16-15(17)13-7-12(9-18-13)14-6-5-10-3-1-2-4-11(10)8-14/h1-4,7,9H,5-6,8H2
InChI Key:
FBKHQJIVJVQVAL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1scc(c1)N1CCc2c(C1)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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