Name: Name:2-(4-bromophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile
Brand: Angene
SKU: AG01BVMP
Rating: 90 (10 reviews)

2-(4-bromophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile

CAS No.:

561305-83-7

Catalog Number:

AG01BVMP

Molecular Formula:

C13H8BrNOS

Molecular Weight:

306.1777

Catalog Number:

AG01BVMP

Chemical Name:

2-(4-bromophenyl)-3-oxo-3-(thiophen-2-yl)propanenitrile

CAS Number:

561305-83-7

Molecular Formula:

C13H8BrNOS

Molecular Weight:

306.1777

MDL Number:

MFCD04003928

IUPAC Name:

2-(4-bromophenyl)-3-oxo-3-thiophen-2-ylpropanenitrile

InChI:

InChI=1S/C13H8BrNOS/c14-10-5-3-9(4-6-10)11(8-15)13(16)12-2-1-7-17-12/h1-7,11H

InChI Key:

HQTUQNVFGUYRQA-UHFFFAOYSA-N

SMILES:

N#CC(C(=O)c1cccs1)c1ccc(cc1)Br

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

304.951g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.177g/mol

Monoisotopic Mass:

304.951g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9