Boronicacid,b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-,hydrochloride(1:1)

CAS
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CAS
913835-78-6
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Purity
95%
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Catalog Number

ACM913835786

Product Name

Boronicacid,b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-,hydrochloride(1:1)

Structure

Structure

CAS

913835-78-6

Category

Heterocyclic Organic Compound

Synonyms

[3-(benzylamino)-5-nitrophenyl]boronic acid,hydrochloride;

IUPAC Name

[3-(benzylamino)-5-nitrophenyl]boronic acid;hydrochloride

Molecular Weight

308.52526

Molecular Formula

C₁₃H₁₄BClN₂O₄

Canonical SMILES

B(C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2)(O)O.Cl

InChI Key

YSXGPPOSKCOXDK-UHFFFAOYSA-N

Boiling Point

526.2ºC at 760 mmHg

Melting Point

210-212ºC

Flash Point

272ºC

Exact Mass

308.07400

Hazard Statements

Xi

H-Bond Acceptor

5

H-Bond Donor

4

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?

The molecular formula is C13H14BClN2O4.

What is the molecular weight of Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?

The molecular weight is 308.53 g/mol.

What are some synonyms for Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?

Some synonyms include 3-(Benzylamino)-5-nitrophenylboronic acid hydrochloride and [3-(benzylamino)-5-nitrophenyl]boronic acid; hydrochloride.

When was Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1) created and modified?

It was created on 2009-07-21 and modified on 2023-12-30.

What is the InChI key for Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?

The InChI key is YSXGPPOSKCOXDK-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1) have?

It has 4 hydrogen bond donor counts.

What is the exact mass of Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?

The exact mass is 308.0735148 g/mol.

How many rotatable bond counts does Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1) have?

It has 4 rotatable bond counts.

What is the topological polar surface area of Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1)?

The topological polar surface area is 98.3 Å2.

Is Boronicacid, b-[3-nitro-5-[(phenylmethyl)amino]phenyl]-, hydrochloride(1:1) canonicalized?

Yes, the compound is canonicalized.

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