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Home > Nitro Compounds > 70538-57-7
70538-57-7 | 6-NITROISOQUINOLINE
CAS No: 70538-57-7 Catalog No: AG00FAYM MDL No:MFCD09991731
Product Description
Catalog Number:
AG00FAYM
Chemical Name:
6-NITROISOQUINOLINE
CAS Number:
70538-57-7
MDL Number:
MFCD09991731
IUPAC Name:
6-nitroisoquinoline
InChI:
InChI=1S/C9H6N2O2/c12-11(13)9-2-1-8-6-10-4-3-7(8)5-9/h1-6H
InChI Key:
TWQCVIUEUQDOEH-UHFFFAOYSA-N
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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