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2-Bromoisobutanoic acid N-hydroxysuccinimide ester

2-Bromoisobutanoic acid N-hydroxysuccinimide ester

Name: 2-Bromoisobutanoic acid N-hydroxysuccinimide ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C8H10BrNO4

Molecular Weight:

264.07

CAS Number:

728034-24-0

Catalog Number:

728034-24-0

Product Information

Molecular Formula:

C8H10BrNO4

Molecular Weight:

264.07

Description

Atom transfer radical polymerization (ATRP) initiator with an NHS ester moiety for conjugation chemistry, useful for biological ligations.

Synonyms

1-(2-Bromo-2-methyl-1-oxopropoxy)-2,5-pyrrolidinedione,NHS ATRP initiator,NHS protected Bromoisobutyrate,NHS-BiB

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 2-bromo-2-methylpropanoate

Canonical SMILES

CC(C)(C(=O)ON1C(=O)CCC1=O)Br

InChI

InChI=1S/C8H10BrNO4/c1-8(2,9)7(13)14-10-5(11)3-4-6(10)12/h3-4H2,1-2H3

InChI Key

QBJWGGWPQPRVKW-UHFFFAOYSA-N

Melting Point

135-140 °C

Flash Point

>230 °F

Purity

98% (GC)

Appearance

solid

Storage

2-8°C

Refractive Index

n20/D 1.529

Computed Properties

XLogP3

0.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.97932 g/mol

Monoisotopic Mass

262.97932 g/mol

Topological Polar Surface Area

63.7Å²

Heavy Atom Count

Formal Charge

Complexity

284

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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