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Home > Nitro Compounds > 808125-51-1
808125-51-1 | Isoquinoline, 4-ethenyl-5-nitro- (9CI)
CAS No: 808125-51-1 Catalog No: AG00GFET MDL No:
Product Description
Catalog Number:
AG00GFET
Chemical Name:
Isoquinoline, 4-ethenyl-5-nitro- (9CI)
CAS Number:
808125-51-1
IUPAC Name:
4-ethenyl-5-nitroisoquinoline
InChI:
InChI=1S/C11H8N2O2/c1-2-8-6-12-7-9-4-3-5-10(11(8)9)13(14)15/h2-7H,1H2
InChI Key:
QNCOGYXNZRUVCC-UHFFFAOYSA-N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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