1527-89-5 | 3-Methoxybenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$7.00	$5.00
10g	98%	in stock	$9.00	$6.00
500g	98%	in stock	$299.00	$209.00

Description

• Catalog Number: AB65231
• Chemical Name: 3-Methoxybenzonitrile
• CAS Number: 1527-89-5
• Molecular Formula: C8H7NO
• Molecular Weight: 133.1473
• MDL Number: MFCD00001801
• SMILES: COc1cccc(c1)C#N
• NSC Number: 225049

Computed Properties

• Complexity: 147
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.4

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Formation of fullerooxazoles from C61HPh(3-): the regioselectivity of heteroatom additions.

  The Journal of organic chemistry 20091106

• Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201