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Home > Nitro Compounds > 1199813-82-5
1199813-82-5 | 2-methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-one
CAS No: 1199813-82-5 Catalog No: AG00HF81 MDL No:MFCD16875463
Product Description
Catalog Number:
AG00HF81
Chemical Name:
2-methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-one
CAS Number:
1199813-82-5
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD16875463
IUPAC Name:
2-methyl-7-nitro-1,4-dihydroisoquinolin-3-one
InChI:
InChI=1S/C10H10N2O3/c1-11-6-8-4-9(12(14)15)3-2-7(8)5-10(11)13/h2-4H,5-6H2,1H3
InChI Key:
OAZNUWVXHRYGEN-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccc(cc2CN1C)[N+](=O)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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