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Basic Information
CAS No.: 728919-99-1
Name: 4-TERT-BUTYLBENZYLISOCYANIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 728919-99-1 (4-TERT-BUTYLBENZYLISOCYANIDE)
Formula: C12H15N
Molecular Weight: 173.25
Synonyms: 4-tert-Butylbenzyl isocyanide;1-tert-Butyl-4-(isocyanomethyl)benzene;
PSA: 0.00000
LogP: 2.63410
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Specification

The Benzene,1-(1,1-dimethylethyl)-4-(isocyanomethyl)-, with the CAS registry number 728919-99-1, is also known as 4-tert-Butylbenzyl isocyanide. This chemical's molecular formula is C12H15N and molecular weight is 173.25. What's more, its systematic name is 1-tert-butyl-4-(isocyanomethyl)benzene.

Physical properties of Benzene,1-(1,1-dimethylethyl)-4-(isocyanomethyl)- are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 4.36 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [C-]#[N+]Cc1ccc(cc1)C(C)(C)C
(2)Std. InChI: InChI=1S/C12H15N/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8H,9H2,1-3H3
(3)Std. InChIKey: JAFDOAFEQMVWJP-UHFFFAOYSA-N