5-(Bromomethyl)-α1,α1,α3,α3-tetramethyl-1,3-benzenediacetonitrile

C₁₅H₁₇BrN₂CAS 120511-84-4305.22 g/mol

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Alkyl halide Nitrile

Properties

Molecular formula: C₁₅H₁₇BrN₂
Molar mass: 305.22 g/mol
Exact mass: 304.0575 Da
logP: 4.18Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

120511-84-4

SMILES

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

InChIKey

IHXHGCDOJLOZML-UHFFFAOYSA-N

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

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Names and synonyms

6 names

2-[3-(Bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
1,3-Benzenediacetonitrile, 5-(bromomethyl)-α1,α1,α3,α3-tetramethyl-
1,3-Benzenediacetonitrile, 5-(bromomethyl)-α,α,α′,α′-tetramethyl-
3,5-Bis(2-cyanoprop-2-yl)benzyl bromide
3,5-Bis(1-cyano-1-methylethyl)benzyl bromide
2,2′-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile)

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Similar compounds

3,5-Bis(2-cyanoprop-2-yl)toluene120511-72-056 % similar Anastrozole120511-73-150 % similar 2-(4-Bromophenyl)-2-methylpropanenitrile101184-73-046 % similar 3,5-Bis(trifluoromethyl)benzyl bromide32247-96-445 % similar 2-(4-Aminophenyl)-2-methylpropanenitrile115279-57-742 % similar 4-tert-Butylbenzyl bromide18880-00-741 % similar 4-Cyanobenzyl bromide17201-43-333 % similar 3-Cyanobenzyl bromide28188-41-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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