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80906-24-7 | 1H-Indole, 3-bromo-1,2-dimethyl-
CAS No: 80906-24-7 Catalog No: AG0056XO MDL No:MFCD11893509
Product Description
Catalog Number:
AG0056XO
Chemical Name:
1H-Indole, 3-bromo-1,2-dimethyl-
CAS Number:
80906-24-7
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
MDL Number:
MFCD11893509
IUPAC Name:
3-bromo-1,2-dimethylindole
InChI:
InChI=1S/C10H10BrN/c1-7-10(11)8-5-3-4-6-9(8)12(7)2/h3-6H,1-2H3
InChI Key:
IWOBAONZGDLVQJ-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2c(c1C)Br
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.101g/mol
Monoisotopic Mass:
223g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 2-(1,2-Dimethyl-1H-indol-3-yl)-1-{5-[3-(1,3-dioxolan-2-yl)phen-yl]-2-methyl-thio-phen-3-yl}-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene. | Acta crystallographica. Section E, Structure reports online 20111101 |
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