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89245-35-2 | 2-(4-Bromo-3-indolyl)acetonitrile
CAS No: 89245-35-2 Catalog No: AG003EUZ MDL No:MFCD09880076
Product Description
Catalog Number:
AG003EUZ
Chemical Name:
2-(4-Bromo-3-indolyl)acetonitrile
CAS Number:
89245-35-2
Molecular Formula:
C10H7BrN2
Molecular Weight:
235.0800
MDL Number:
MFCD09880076
IUPAC Name:
2-(4-bromo-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7BrN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4H2
InChI Key:
CGFUOBNYUICDPH-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(Br)ccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.084g/mol
Monoisotopic Mass:
233.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 2-(4-Bromo-1H-indol-3-yl)acetonitrile. | Acta crystallographica. Section E, Structure reports online 20120201 |
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