4-Pivalamidophenylboronic acid

CAT: 0024-sc-290483ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-290483ASize:5 g

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CAS Number

182344-22-5

Chemical Information

4-Pivalamidophenylboronic acid

CAS Number	182344-22-5
PubChem CID	22324085
IUPAC Name	[4-(2,2-dimethylpropanoylamino)phenyl]boronic acid
Molecular Formula	C11H16BNO3
Molecular Weight	221.06
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	242

SMILES

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

InChI

InChI=1S/C11H16BNO3/c1-11(2,3)10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

InChIKey

ORNCMGDXLWQRHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 182344-22-5

CID: 22324085

Formula: C11H16BNO3

MW: 221.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.06
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	221.1223235
Monoisotopic Mass	221.1223235
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-277680	4,4,4-Trichlorobutyric acid
sc-262191	4,4,4-Trifluorobutyric acid
sc-262191A	4,4,4-Trifluorobutyric acid
sc-349750	4,4-difluoropentanoic acid
sc-349750A	4,4-difluoropentanoic acid
sc-210168	4,4'-Dithiobisbenzoic Acid
sc-217022	4,4'-Dithiobisphenylbutyric Acid
sc-226805	4,4-Difluorocyclohexanecarboxylic acid
sc-210170	4,4'-Dithiobiscinnamic Acid
sc-487699	4,4'-Isopropylidenediphenoxyacetic acid

Catalog	Name
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)
MBS6028591-01	4-Mercaptophenylbutyric Acid (4-(4-Mercaptophenyl)butyric Acid)
PC3392-01	4,4,4-Trifluorocrotonic acid
OR73423-01	4,4',4''-Nitrilotribenzoic acid
OR0757	4,4,4-Trichlorobutyric acid
PC7292-01	4,4,4-Trifluorobutanoic acid
OR1048070-01	4,4',4''-Phosphanetriyltribenzoic acid
OR91009-01	4,4',4''-Phosphoryltribenzoic acid
FD54832-01	4,4'-Dibenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid