2- (4-Boronophenyl) -2-methylpropanoic acid

CAT: 0127-OR360762-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR360762-01Size:250 mg

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CAS Number

1187209-18-2

MDL Number

MFCD09991614

Purity

95%

Smiles

CC(C)(C(=O)O)c1ccc(cc1)B(O)O

Chemical Information

2-(4-Boronophenyl)-2-methylpropanoic acid

CAS Number	1187209-18-2
PubChem CID	50999137
IUPAC Name	2-(4-boronophenyl)-2-methylpropanoic acid
Molecular Formula	C10H13BO4
Molecular Weight	208.02
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	232

SMILES

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

InChI

InChI=1S/C10H13BO4/c1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,14-15H,1-2H3,(H,12,13)

InChIKey

QAMVLOFDQNAZOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1187209-18-2

CID: 50999137

Formula: C10H13BO4

MW: 208.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.02
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	208.0906891
Monoisotopic Mass	208.0906891
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	232
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
OR8881-01	2- (4-Boronophenyl) quinoline-4-carboxylic acid
OR21768-01	2- (4-aminophenoxy) -2-methylpropanoic acid
PC200571	2- (4-Fluorophenoxy) -2-methylpropanoic acid
OR87425-01	2- (4-Ethylphenyl) -2-methylpropanoic acid
OR1049872-01	2- (4-Ethoxyphenyl) -2-methylpropanoic acid
OR480687-01	2 (4-Cyanophenoxy) -2-methylpropanoic acid
PC902103-01	2- (4-Fluorophenyl) -2-methylpropanoic acid
OR1052338-01	2- (4-Bromophenoxy) -2-methylpropanoic acid
OR1007538	2- (4-Cyanophenyl) -2-methylpropanoic acid
OR43591-01	2- (4-Bromophenyl) -2-methylpropanoic acid

Catalog	Name
413612-01	2- (4-Boronophenyl) -2-methylpropanoic Acid
sc-287565	2- (4-Boronophenyl) acetic acid
EGA54895-01	2- (4-Ethoxyphenoxy) -2-methylpropanoic acid
TYD-03876-01	2- (4-Aminophenoxy) -2-methylpropanoic acid
413836-01	2- (4-Methoxyphenyl) -2-methylpropanoic acid
413768-01	2- (4-Fluorophenoxy) -2-methylpropanoic acid
413752-01	2- (4-Ethylphenyl) -2-methylpropanoic Acid
sc-282677	2- (4-methoxyphenoxy) -2-methylpropanoic acid
sc-282621	2- (4-bromophenoxy) -2-methylpropanoic acid
sc-282652	2- (4-ethylphenoxy) -2-methylpropanoic acid