CAS 23877-12-5|tert-Butyl 2-bromoisobutyrate|tert-butyl 2-bromo-2-methylpropanoate|tert-Butyl 2-bromo-2-methylpropanoate|tert-butyl 2-bromo-2-methylpropanoate|tert-Butyl α-bromoisobutyrate|tert-But...

General Information

Structure

Molecular Formula

C₈H₁₅BrO₂

Molecular Mass

223.1075

Exact Mass

222.02554172

Charge

InChI

InChI=1S/C8H15BrO2/c1-7(2,3)11-6(10)8(4,5)9/h1-5H3

InChIKey

IGVNJALYNQVQIT-UHFFFAOYSA-N

Canonic Smiles

O=C(C(Br)(C)C)OC(C)(C)C

Isomeric Smiles

O(C(=O)C(Br)(C)C)C(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.7008772

LogD (pH = 7.4)

2.7008772

Log P

2.7008772

Molar Refractivity

48.1623

Polarizability

19.02437

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

tert-Butyl 2-bromoisobutyratetert-Butyl 2-bromo-2-methylpropanoateα-溴异丁酸叔丁酯2-溴-2-甲基丙酸叔丁酯tert-Butyl α-bromoisobutyratetert-Butyl 2-bromo-2-methylpropionate2-Bromoisobutyric acid tert-butyl estertert-Butyl 2-bromoisobutyrate2-溴异丁酸叔丁酯tert-Butyl 2-methyl-2-propionate

IUPAC Traditional name

tert-butyl 2-bromo-2-methylpropanoate

IUPAC name

tert-butyl 2-bromo-2-methylpropanoate

Names and Identifiers

Registration numbers

CAS Number

23877-12-5

EC Number

245-924-7

Beilstein Number

1905654