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19821-80-8 | Benzene, 1,3-dibromo-2-iodo-
CAS No: 19821-80-8 Catalog No: AG002BD0 MDL No:MFCD00192666
Product Description
Catalog Number:
AG002BD0
Chemical Name:
Benzene, 1,3-dibromo-2-iodo-
CAS Number:
19821-80-8
Molecular Formula:
C6H3Br2I
Molecular Weight:
361.8005
MDL Number:
MFCD00192666
IUPAC Name:
1,3-dibromo-2-iodobenzene
InChI:
InChI=1S/C6H3Br2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChI Key:
OIFRMZVTJQAPIF-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1I)Br
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.763g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.802g/mol
Monoisotopic Mass:
359.765g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Total synthesis of the duocarmycins. | Journal of the American Chemical Society 20030604 |
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