Name: Name:2-(4-Bromo-3-indolyl)acetonitrile
Brand: Angene
SKU: AG003EUZ
Rating: 90 (10 reviews)

2-(4-Bromo-3-indolyl)acetonitrile

CAS No.:

89245-35-2

Catalog Number:

AG003EUZ

Molecular Formula:

C10H7BrN2

Molecular Weight:

235.0800

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.084g/mol

Monoisotopic Mass:

233.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
2-(4-Bromo-1H-indol-3-yl)acetonitrile.	Acta crystallographica. Section E, Structure reports online 20120201

Properties