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876492-00-1 | Quinoline,4-iodo-6-methoxy-
CAS No: 876492-00-1 Catalog No: AG004KWD MDL No:
Product Description
Catalog Number:
AG004KWD
Chemical Name:
Quinoline,4-iodo-6-methoxy-
CAS Number:
876492-00-1
Molecular Formula:
C10H8INO
Molecular Weight:
285.0811
IUPAC Name:
4-iodo-6-methoxyquinoline
InChI:
InChI=1S/C10H8INO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChI Key:
NVLXYZOTINRMRQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(I)ccn2
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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