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2013582-46-0 | 6-bromo-4-iodoisoquinoline
CAS No: 2013582-46-0 Catalog No: AG01ELDO MDL No:
Product Description
Catalog Number:
AG01ELDO
Chemical Name:
6-bromo-4-iodoisoquinoline
CAS Number:
2013582-46-0
Molecular Formula:
C9H5BrIN
Molecular Weight:
333.9512
IUPAC Name:
6-bromo-4-iodoisoquinoline
InChI:
InChI=1S/C9H5BrIN/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-5H
InChI Key:
HUJDTCMXQLMRBM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(I)cnc2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.865g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.954g/mol
Monoisotopic Mass:
332.865g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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