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Home > Nitro Compounds > 711601-13-7
711601-13-7 | Isoquinoline, 2-ethyl-1,2,3,4-tetrahydro-7-nitro- (9CI)
CAS No: 711601-13-7 Catalog No: AG00FTDG MDL No:MFCD09971898
Product Description
Catalog Number:
AG00FTDG
Chemical Name:
Isoquinoline, 2-ethyl-1,2,3,4-tetrahydro-7-nitro- (9CI)
CAS Number:
711601-13-7
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
MDL Number:
MFCD09971898
IUPAC Name:
2-ethyl-7-nitro-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C11H14N2O2/c1-2-12-6-5-9-3-4-11(13(14)15)7-10(9)8-12/h3-4,7H,2,5-6,8H2,1H3
InChI Key:
WYGYMIKICPQWCH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2CN(CC)CCc2cc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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