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Home > Nitro Compounds > 70538-52-2
70538-52-2 | 5-nitroisoquinoline-1-carbonitrile
CAS No: 70538-52-2 Catalog No: AG00FUBW MDL No:
Product Description
Catalog Number:
AG00FUBW
Chemical Name:
5-nitroisoquinoline-1-carbonitrile
CAS Number:
70538-52-2
IUPAC Name:
5-nitroisoquinoline-1-carbonitrile
InChI:
InChI=1S/C10H5N3O2/c11-6-9-7-2-1-3-10(13(14)15)8(7)4-5-12-9/h1-5H
InChI Key:
CXMWANYGFSNUEC-UHFFFAOYSA-N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.169g/mol
Monoisotopic Mass:
199.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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