CAS
850568-09-1 Purity
97%
850568-09-1 Purity
97%
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4-(tert-Butylaminocarbonyl)phenylboronic acid
CAS
850568-14-8
Catalog Number
ACM850568148
Category
Boronic Acids
Molecular Weight
221.06
Molecular Formula
C11H16BNO3
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Specification
Synonyms
850568-14-8, 4-(tert-Butylaminocarbonyl)phenylboronic acid, (4-(tert-Butylcarbamoyl)phenyl)boronic acid, [4-(tert-butylcarbamoyl)phenyl]boronic Acid, 4-(tert-Butylaminocarbonyl)benzeneboronic acid, [4-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]boronic acid, AC1MCMRK, ACMC-209q1e, SureCN1961940, AMTB364, CTK5F3945, MolPort-001-759-464, N-T-BUTYL 4-BORONOBENZAMIDE, ANW-38016, AKOS015838076, N-TERT-BUTYL 4-BORONOBENZAMIDE, AB15985, AG-H-41250, OR10398, 4-(tert-butylcarbamoyl)phenylboronic acid
IUPAC Name
[4-(tert-butylcarbamoyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(=O)NC(C)(C)C)(O)O
InChI Key
JAIIZPWLCVMPFA-UHFFFAOYSA-N
Melting Point
230-246ºC
Density
1.13g/cm³
Exact Mass
221.12200
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
3
Safety Description
26-36/37/39
What is the molecular formula of 4-(tert-Butylaminocarbonyl)phenylboronic acid?
The molecular formula is C11H16BNO3.
What is the PubChem CID of 4-(tert-Butylaminocarbonyl)phenylboronic acid?
The PubChem CID is 2773312.
What is the molecular weight of 4-(tert-Butylaminocarbonyl)phenylboronic acid?
The molecular weight is 221.06 g/mol.
What is the IUPAC name of 4-(tert-Butylaminocarbonyl)phenylboronic acid?
The IUPAC name is [4-(tert-butylcarbamoyl)phenyl]boronic acid.
What is the InChI of 4-(tert-Butylaminocarbonyl)phenylboronic acid?
The InChI is InChI=1S/C11H16BNO3/c1-11(2,3)13-10(14)8-4-6-9(7-5-8)12(15)16/h4-7,15-16H,1-3H3,(H,13,14).
What is the InChIKey of 4-(tert-Butylaminocarbonyl)phenylboronic acid?
The InChIKey is JAIIZPWLCVMPFA-UHFFFAOYSA-N.
What is the canonical SMILES of 4-(tert-Butylaminocarbonyl)phenylboronic acid?
The canonical SMILES is B(C1=CC=C(C=C1)C(=O)NC(C)(C)C)(O)O.
What is the CAS number of 4-(tert-Butylaminocarbonyl)phenylboronic acid?
The CAS number is 850568-14-8.
How many hydrogen bond donor counts does 4-(tert-Butylaminocarbonyl)phenylboronic acid have?
It has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 4-(tert-Butylaminocarbonyl)phenylboronic acid have?
It has 3 hydrogen bond acceptor counts.
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