Benzoicacid,3-borono-5-[[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)

CAS
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CAS
913835-72-0
Size
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Purity
98%
Price
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Availability
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Catalog Number

ACM913835720

Product Name

Benzoicacid,3-borono-5-[[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)

Structure

Structure

CAS

913835-72-0

Category

Heterocyclic Organic Compound

Synonyms

913835-72-0, 3-(N-Boc-Amino)-5-carboxyphenylboronic acid, 3-Borono-5-((tert-butoxycarbonyl)amino)benzoic acid, ACMC-209r9x, SureCN3461877, CTK3I6388, MolPort-001-768-251, ANW-39619, OR3306, AKOS015836912, AG-H-74943, AK-91810, BD229983, KB-27678, FT-0687795, 3-(N-Boc-Amino)-5-carboxyphenylboronic acid,, B-4093, I04-1924, 3-Amino-5-carboxybenzeneboronic acid, N-BOC protected, 3-[(tert-butoxycarbonyl)amino]-5-(dihydroxyboranyl)benzoic acid

IUPAC Name

3-borono-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Molecular Weight

281.06954

Molecular Formula

C₁₂H₁₆BNO₆

Canonical SMILES

B(C1=CC(=CC(=C1)NC(=O)OC(C)(C)C)C(=O)O)(O)O

InChI Key

DDZVPNHBJRCXEI-UHFFFAOYSA-N

Melting Point

>300ºC

Density

1.33g/cm³

Exact Mass

281.10700

Hazard Statements

Xi

H-Bond Acceptor

6

H-Bond Donor

4

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?

The molecular formula is C12H16BNO6.

What is the molecular weight of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?

The molecular weight is 281.07 g/mol.

When was Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci) first created in PubChem?

It was first created on July 21, 2009.

What is the IUPAC name of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?

The IUPAC name is 3-borono-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.

What is the InChIKey of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?

The InChIKey is DDZVPNHBJRCXEI-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci) have?

It has 4 hydrogen bond donor counts.

What is the exact mass of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?

The exact mass is 281.1070674 g/mol.

How many defined atom stereocenter counts does Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci) have?

It has 0 defined atom stereocenter counts.

What is the topological polar surface area of Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci)?

The topological polar surface area is 116 Å².

Is Benzoic acid, 3-borono-5-[(1,1-dimethylethoxy)carbonyl]amino]-(9ci) a canonicalized compound?

Yes, it is a canonicalized compound.

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