Name: Name:2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile)
Brand: Angene
SKU: AG019FU5
Rating: 90 (10 reviews)

2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile)

CAS No.:

120511-84-4

Catalog Number:

AG019FU5

Molecular Formula:

C15H17BrN2

Molecular Weight:

305.2129

Catalog Number:

AG019FU5

Chemical Name:

2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile)

CAS Number:

120511-84-4

Molecular Formula:

C15H17BrN2

Molecular Weight:

305.2129

MDL Number:

MFCD07782114

IUPAC Name:

2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile

InChI:

InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3

InChI Key:

IHXHGCDOJLOZML-UHFFFAOYSA-N

SMILES:

N#CC(c1cc(CBr)cc(c1)C(C#N)(C)C)(C)C

EC Number:

601-717-7

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

304.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.219g/mol

Monoisotopic Mass:

304.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7