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Home > Nitro Compounds > 928032-23-9
928032-23-9 | 6-Nitroisoquinolin-1(2H)-one
CAS No: 928032-23-9 Catalog No: AG00H5C2 MDL No:MFCD18250887
Product Description
Catalog Number:
AG00H5C2
Chemical Name:
6-Nitroisoquinolin-1(2H)-one
CAS Number:
928032-23-9
Molecular Formula:
C9H6N2O3
Molecular Weight:
190.1555
MDL Number:
MFCD18250887
IUPAC Name:
6-nitro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H6N2O3/c12-9-8-2-1-7(11(13)14)5-6(8)3-4-10-9/h1-5H,(H,10,12)
InChI Key:
DWFJQUBPWKLJNA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc[nH]c2=O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.158g/mol
Monoisotopic Mass:
190.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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