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1207448-20-1 | 1-iodo-5-methoxyisoquinoline
CAS No: 1207448-20-1 Catalog No: AG01DYHU MDL No:MFCD15832807
Product Description
Catalog Number:
AG01DYHU
Chemical Name:
1-iodo-5-methoxyisoquinoline
CAS Number:
1207448-20-1
Molecular Formula:
C10H8INO
Molecular Weight:
285.0811
MDL Number:
MFCD15832807
IUPAC Name:
1-iodo-5-methoxyisoquinoline
InChI:
InChI=1S/C10H8INO/c1-13-9-4-2-3-8-7(9)5-6-12-10(8)11/h2-6H,1H3
InChI Key:
QQSHSCOWRYWQRY-UHFFFAOYSA-N
SMILES:
COc1cccc2c1ccnc2I
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.084g/mol
Monoisotopic Mass:
284.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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