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Home > Nitro Compounds > 13058-73-6
13058-73-6 | Isoquinoline, 7-nitro-
CAS No: 13058-73-6 Catalog No: AG000UNX MDL No:MFCD09264588
Product Description
Catalog Number:
AG000UNX
Chemical Name:
Isoquinoline, 7-nitro-
CAS Number:
13058-73-6
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
MDL Number:
MFCD09264588
IUPAC Name:
7-nitroisoquinoline
InChI:
InChI=1S/C9H6N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-6H
InChI Key:
NYHHIPIPUVLUFF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cncc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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