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885519-17-5 | 6-Bromo-4-iodo-1H-indole
CAS No: 885519-17-5 Catalog No: AG004F4O MDL No:MFCD07781358
Product Description
Catalog Number:
AG004F4O
Chemical Name:
6-Bromo-4-iodo-1H-indole
CAS Number:
885519-17-5
Molecular Formula:
C8H5BrIN
Molecular Weight:
321.9405
MDL Number:
MFCD07781358
IUPAC Name:
6-bromo-4-iodo-1H-indole
InChI:
InChI=1S/C8H5BrIN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChI Key:
FDFVBCXKWVOTHX-UHFFFAOYSA-N
SMILES:
Brc1cc(I)c2c(c1)[nH]cc2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.865g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.943g/mol
Monoisotopic Mass:
320.865g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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