3-Ethylphenylboronic Acid

Name: 3-Ethylphenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C8H11O2B

Molecular Weight:

149.98

CAS Number:

90555-65-0

Catalog Number:

90555-65-0

Product Information

Molecular Formula:

C8H11O2B

Molecular Weight:

149.98

Description

3-Ethylphenylboronic Acid (CAS# 90555-65-0) is a useful research chemical.

Synonyms

(3-ethylphenyl)boronic acid; (3-ethylphenyl)boronic acid

IUPAC Name

(3-ethylphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)CC)(O)O

InChI

InChI=1S/C8H11BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6,10-11H,2H2,1H3

InChI Key

JIMVRUCDZGFJRE-UHFFFAOYSA-N

Boiling Point

299.6 °C at 760 mmHg

Flash Point

Not applicable

Density

1.07 g/cm³

Appearance

Solid

LogP

-0.07120

Safety Information

Hazards

H315 - H319

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

150.0852098 g/mol

Monoisotopic Mass

150.0852098 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

117

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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