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213597-92-3 | 5-Iodo-7-nitro-1,2,3,4-tetrahydro-isoquinoline
CAS No: 213597-92-3 Catalog No: AG00BIS1 MDL No:
Product Description
Catalog Number:
AG00BIS1
Chemical Name:
5-Iodo-7-nitro-1,2,3,4-tetrahydro-isoquinoline
CAS Number:
213597-92-3
IUPAC Name:
5-iodo-7-nitro-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C9H9IN2O2/c10-9-4-7(12(13)14)3-6-5-11-2-1-8(6)9/h3-4,11H,1-2,5H2
InChI Key:
CYXBUXVVZDBTFI-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.087g/mol
Monoisotopic Mass:
303.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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