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2060032-49-5 | 5-iodo-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS No: 2060032-49-5 Catalog No: AG01BWYW MDL No:MFCD30477520
Product Description
Catalog Number:
AG01BWYW
Chemical Name:
5-iodo-2-methyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CAS Number:
2060032-49-5
Molecular Formula:
C10H8INO2
Molecular Weight:
301.0805
MDL Number:
MFCD30477520
IUPAC Name:
5-iodo-2-methyl-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C10H8INO2/c1-12-9(13)5-7-6(10(12)14)3-2-4-8(7)11/h2-4H,5H2,1H3
InChI Key:
KKRXESYHSFKQOE-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(I)cccc2C(=O)N1C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.083g/mol
Monoisotopic Mass:
300.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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