Structure

3,5-Di-tert-butylbenzyl bromide

CAS
62938-08-3
Catalog Number
ACM62938083
Category
Aryl
Molecular Weight
283.25
Molecular Formula
C14H12I2

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Specification

Hazard Statements
H314-H335
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(bromomethyl)-3,5-ditert-butylbenzene.

What is the molecular formula of the compound?

The molecular formula of the compound is C15H23Br.

What is the molecular weight of the compound?

The molecular weight of the compound is 283.25 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C15H23Br/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9H,10H2,1-6H3.

What is the InChIKey of the compound?

The InChIKey of the compound is SNRYBGHMHAJTTM-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number of the compound is 62938-08-3.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 5.8.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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